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Profile: ChromaDex Inc. is a supplier of botanical reference standards along with related phytochemical products and services. We provide products and services to food, pharmaceutical, personal care, and dietary supplement markets. We also deal with botanical drugs, fine chemicals, nutraceuticals, pharmaceutical production plant and equipment.

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• tert-Butyl isothiocyanate

IUPAC Name: 2-isothiocyanato-2-methylpropane | CAS Registry Number: 590-42-1
Synonyms: tert.-Butyl Isothiocyanate, T-BUTYLISOTHIOCYANATE, 2-Isothiocyanato-2-methylpropane, Propane, 2-isothiocyanato-2-methyl-, 251852_ALDRICH, EINECS 209-682-6, ZINC02034614, TL80073711, InChI=1/C5H9NS/c1-5(2,3)6-4-7/h1-3H

Molecular Formula:	C₅H₉NS	Molecular Weight:	115.196660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZFWFRTVIIMTOLY-UHFFFAOYSA-N

• tert.-Amyl Alcohol

IUPAC Name: 2-methylbutan-2-ol | CAS Registry Number: 75-85-4
Synonyms: Amylene hydrate, t-Amyl alcohol, tert-Pentanol, tert-Amyl alcohol, tert-Pentyl alcohol, Amylenum hydratum, t-Pentyl alcohol, 2-Butanol, 2-methyl-, tert-Isoamyl alcohol, tert-n-Amyl alcohol, 2-Methyl butanol-2, 2-Methylbutan-2-ol, 3-Methylbutan-3-ol, Dimethylethylcarbinol, Ethyldimethylcarbinol, Dimethyl ethyl carbinol, Ethyl dimethyl carbinol, Amylalkohol, tertiaerer, 2-METHYL-2-BUTANOL, 1,1-Dimethyl-1-propanol

Molecular Formula:	C₅H₁₂O	Molecular Weight:	88.148180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: MSXVEPNJUHWQHW-UHFFFAOYSA-N

• trans-Aconitic acid

IUPAC Name: (E)-prop-1-ene-1,2,3-tricarboxylic acid | CAS Registry Number: 4023-65-8
Synonyms: trans-Aconitate, ACONITIC ACID, ACONITIC ACID, TRANS, Spectrum5_000568, BSPBio_003135, SPECTRUM310001, W201006_ALDRICH, 122750_ALDRICH, ARONIS001219, NSC43980, CHEBI:32806, NSC7616, MolPort-000-005-236, AIDS017729, BB_NC-0821, (E)-1-Propene-1,2,3-tricarboxylic acid, AIDS-017729, NSC-7616, EINECS 223-688-6, CID444212

Molecular Formula:	C₆H₆O₆	Molecular Weight:	174.108240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GTZCVFVGUGFEME-HNQUOIGGSA-N

• Trans-Anethole

IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene | CAS Registry Number: 4180-23-8
Synonyms: trans-Anethole, ANETHOLE, trans-Anethol, Isoestragole, Aniskampfer, Monasirup, Anethol, Anise camphor, 4-Propenylanisole, p-Anethole, Oil of aniseed, p-Propenylanisole, (E)-Anethole, trans-p-Anethole, (E)-Anethol, Anethole, trans-, Acintene O, Nauli "gum", Anethole [USAN], Anisole, p-propenyl-

Molecular Formula:	C₁₀H₁₂O	Molecular Weight:	148.201680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: RUVINXPYWBROJD-ONEGZZNKSA-N

• Tropini sulfas

IUPAC Name: [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate; sulfuric acid; hydrate | CAS Registry Number: 5908-99-6
Synonyms: Isopto Atropine, Atropine sulfate, Prestwick_960, Isopto Atropine (TN), Atropine sulfate monohydrate, Atropine sulfate (JP15/USP), D02069

Molecular Formula:	C₃₄H₅₀N₂O₁₁S	Molecular Weight:	694.832600 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	13

InChIKey: JPKKQJKQTPNWTR-BRYCGAMXSA-N

• (+)-Camphor

IUPAC Name: (1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | CAS Registry Number: 464-49-3
Synonyms: camphor, D-CAMPHOR, (R)-Camphor, Camphor(D), ()-Camphor, (+)-Bornan-2-one, (1R)-(+)-Camphor, (R)-(+)-Camphor, (+/-)-Camphor, Spectrum2_000383, Spectrum3_000322, BSPBio_001923, W223018_ALDRICH, W526606_ALDRICH, SPBio_000565, 148075_ALDRICH, 20506_RIEDEL, 857300_ALDRICH, 21300_FLUKA, CHEBI:15396

Molecular Formula:	C₁₀H₁₆O	Molecular Weight:	152.233440 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: DSSYKIVIOFKYAU-XCBNKYQSSA-N

• 1-Eicosanol

IUPAC Name: icosan-1-ol | CAS Registry Number: 629-96-9
Synonyms: N-Eicosanol, Arachic alcohol, Arachidyl alcohol, 1-EICOSANOL, Arachidic alcohol, Eicosyl alcohol, Icosan-1-ol, icosanol, N-1-Eicosanol, EICOSANOL, Arachinyl alcohol, eicosan-1-ol, Pri-N-eicosyl alcohol, HSDB 5731, 234494_ALDRICH, ARACHIDIC ALCOHOL, 99%, 44860_FLUKA, 44861_FLUKA, EINECS 211-119-4, NSC 120887

Molecular Formula:	C₂₀H₄₂O	Molecular Weight:	298.546880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: BTFJIXJJCSYFAL-UHFFFAOYSA-N

• (-)-Aspartic acid

IUPAC Name: (2R)-2-aminobutanedioic acid | CAS Registry Number: 1783-96-6
Synonyms: D-Aspartic acid, D-Aspartate, aspartic acid, aspartate, L-aspartic acid, L-aspartate, Aspartic acid D-form, D-Asparaginsaeure, (R)-Aspartic acid, Aspartic acid, D-, Tocris-0213, (R)-2-aminosuccinic acid, Lopac-A-9256, (S)-Aminobutanedioic acid, Biomol-NT_000167, (R)-2-aminobutanedioic acid, (2R)-2-aminobutanedioic acid, 219096_ALDRICH, BPBio1_001126, CHEBI:17364

Molecular Formula:	C₄H₇NO₄	Molecular Weight:	133.102680 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: CKLJMWTZIZZHCS-UWTATZPHSA-N

• 8-Acetyl-7-Hydroxycoumarin

IUPAC Name: 8-acetyl-7-hydroxychromen-2-one | CAS Registry Number: 6748-68-1
Synonyms: 8-Acetyl-7-hydroxycoumarin, 630756_ALDRICH, ZINC00366861, 8-acetyl-7-hydroxy-2H-chromen-2-one, ST5309088, AN-829/13872055

Molecular Formula:	C₁₁H₈O₄	Molecular Weight:	204.178820 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: XWYMACPLPPQCHC-UHFFFAOYSA-N

• (-)-Carvone

IUPAC Name: (5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one | CAS Registry Number: 6485-40-1
Synonyms: Levo-carvone, l-Carvone, Carvol, (4R)-Carvone, CARVONE, (-)-(R)-Carvone, (R)-(-)-Carvone, (-)-(4R)-carvone, CARVONE-RIGHT (D), (−)-Carvone, p-Mentha-6,8-dien-2-one, W224901_ALDRICH, 124931_ALDRICH, (-)-p-Mentha-6,8-dien-2-one, 22057_FLUKA, 22060_FLUKA, CHEBI:15400, BB_NC-1762, (R)-(−)-Carvone, CPD-1089

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ULDHMXUKGWMISQ-SECBINFHSA-N

• 5-Azacytosine

IUPAC Name: 6-amino-1H-1,3,5-triazin-2-one | CAS Registry Number: 931-86-2
Synonyms: s-Triazin-2-ol, 4-amino-, 4-Amino-1,3,5-triazin-2-one, 855049_ALDRICH, 2-Amino-4-hydroxy-sym-triazine, s-Triazin-2(1H)-one, 4-amino-, 11387_FLUKA, EINECS 213-242-9, 4-AMINO-S-TRIAZIN-2-OL, NSC 51100, NSC 54006, AIDS023084, 1,3,5-Triazin-2(1H)-one, 4-amino-, AIDS-023084, NSC51100, NSC54006, 4-Amino-1,3,5-triazin-2(1H)-one, ZINC01845522, LS-155640, TL8005911, A-9450

Molecular Formula:	C₃H₄N₄O	Molecular Weight:	112.090060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: MFEFTTYGMZOIKO-UHFFFAOYSA-N

• (±)-Carnitine chloride

IUPAC Name: (2,4-dihydroxy-4-oxobutyl)-trimethylazanium chloride | CAS Registry Number: 461-05-2
Synonyms: bicarnesine, Carnitine chloride, Monocamin, Entomin, L-Carnitine chloride, levocarnitine chloride, Carnitine hydrochloride, Entomin (TN), L-Carnitine hydrochloride, ()-Carnitine chloride, DL-Carnitine hydrochloride, d,l-Carnitine hydrochloride, Carnitine DL- hydrochloride, (R)-Carnitine hydrochloride, Carnitine chloride (JAN), ()-Carnitine hydrochloride, (+-)-Carnitine hydrochloride, Carnitine L-form hydrochloride, C7H15NO3.HCl, MLS001332614

Molecular Formula:	C₇H₁₆ClNO₃	Molecular Weight:	197.659840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JXXCENBLGFBQJM-UHFFFAOYSA-N

• 6-Benzylaminopurine

IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula:	C₁₂H₁₁N₅	Molecular Weight:	225.249240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• 1,4-Anthraquinone

IUPAC Name: anthracene-1,4-dione | CAS Registry Number: 635-12-1
Synonyms: 1,4-Anthracenedione, 1,4-Dioxoanthracene, EINECS 211-228-7, NSC104530, ZINC01686135, ST5410439

Molecular Formula:	C₁₄H₈O₂	Molecular Weight:	208.212120 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LSOTZYUVGZKSHR-UHFFFAOYSA-N

• 2-Acetyl-3-Ethyl Pyrazine

IUPAC Name: 1-(3-ethylpyrazin-2-yl)ethanone | CAS Registry Number: 32974-92-8
Synonyms: 2-Acetyl-3-ethylpyrazine, Ethanone, 1-(3-ethylpyrazinyl)-, 1-(3-Ethylpyrazinyl)ethanone, W325007_ALDRICH, FEMA No. 3250, 2-Acetyl-3-ethyl-1,4-diazine, 1-(3-Ethylpyrazinyl)ethan-1-one, EINECS 251-316-2, ZINC01850550

Molecular Formula:	C₈H₁₀N₂O	Molecular Weight:	150.177800 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: PPJSYGVFDJEMRP-UHFFFAOYSA-N

• 6-Azauracil

IUPAC Name: 2H-1,2,4-triazine-3,5-dione | CAS Registry Number: 461-89-2
Synonyms: Azauracil, 4(6)-Azauracil, as-Triazine-3,5-diol, USAF CB-30, 1,2,4-Triazine-3,5(2H,4H)-dione, WLN: T6NMVMVJ, 1,2,4-Triazine-3,5-diol, CCRIS 2710, as-Triazine-3,5(2H,4H)-dione, NSC 3425, A1757_SIGMA, 6-Aza-2,4-dihydroxypyrimidine, C3H3N3O2, IPO 3834, EINECS 207-318-0, NSC3425, 3,5-Dihydroxy-1,2,4-triazine, AIDS059763, AIDS-059763, ALBB-006255

Molecular Formula:	C₃H₃N₃O₂	Molecular Weight:	113.074820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SSPYSWLZOPCOLO-UHFFFAOYSA-N

• 6-Bromo-2-Naphthyl-Alpha-D-Galactopyranoside

IUPAC Name: 2-(6-bromonaphthalen-2-yl)oxy-6-(hydroxymethyl)oxane-3,4,5-triol | CAS Registry Number: 25997-59-5
Synonyms: B7877_SIGMA, CHEBI:286548, 6-Bromo-2-naphthyl hexopyranoside, EINECS 249-074-8, CID119836, ZINC03861779, 6-Bromo-2-naphthyl beta-D-glucoside, 6-Bromo-2-naphthyl- beta-D -glucoside, 6-Bromo-2-naphthyl-.beta.-D-glucoside, 6-Bromo-2-naphthyl beta-D-glucopyranoside, 6-Bromo-2-naphthyl-beta-D-glucopyranoside, 6-Bromo-2-naphthyl alpha-D-mannopyranoside, 6-Bromo-2-naphthyl-.beta.-D-glucopyranoside, 6-Bromo-2-naphthyl-beta-D-galactopyranoside, 6-Bromo-2-naphthyl-alpha-D-galactopyranoside, 6-BROMO-2-NAPHTHYL-BETA-D-GLOCOPYRANISIDE, .beta.-D-Galactopyranoside, 6-bromo-2-naphthalenyl, 2-(6-Bromo-naphthalen-2-yloxy)-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol, 15548-61-5, 15572-30-2

Molecular Formula:	C₁₆H₁₇BrO₆	Molecular Weight:	385.206580 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: NLRXQZJJCPRATR-UHFFFAOYSA-N

• 2-Carene

IUPAC Name: (1R,6R)-4,7,7-trimethylbicyclo[4.1.0]hept-4-ene | CAS Registry Number: 4497-92-1
Synonyms: (+)-2-Carene

Molecular Formula:	C₁₀H₁₆	Molecular Weight:	136.234040 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: IBVJWOMJGCHRRW-RKDXNWHRSA-N

• (S)-(+)-Carvone

IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one | CAS Registry Number: 2244-16-8
Synonyms: d-Carvone, Carvol, (+)-Carvone, CARVONE, (S)-Carvone, (+)-(S)-Carvone, D(+)-Carvone, d-Carvone (natural), ()-Carvone, (4S)-carvone, Carvone, (+)-, D-(+)-Carvone, carvone, (S)-isomer, (+)-(4S)-carvone, (S)-()-Carvone, CCRIS 2385, p-Mentha-6,8-dien-2-one, W224928_ALDRICH, (S)-(+)-p-Mentha-6,8-dien-2-one, 435759_ALDRICH

Molecular Formula:	C₁₀H₁₄O	Molecular Weight:	150.217560 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ULDHMXUKGWMISQ-VIFPVBQESA-N

• 2-Phenylethyl Acetate

IUPAC Name: 2-phenylethyl acetate | CAS Registry Number: 103-45-7
Synonyms: Phenethyl acetate, 2-Phenylethyl acetate, 2-Phenethyl acetate, Benzylcarbinyl acetate, beta-Phenylethyl acetate, Acetic acid, phenethyl ester, Phenylethyl acetate, Phenethyl alcohol, acetate, Acetic acid, 2-phenylethyl ester, beta-Phenethyl acetate, Ethanol, 2-phenyl-, acetate, Phenethyl acetate (natural), .beta.-Phenethyl acetate, .beta.-Phenylethyl acetate, Phenylethyl acetate-.beta., FEMA No. 2857, NCIOpen2_000347, WLN: 1VO2R, W285706_ALDRICH, W285714_ALDRICH

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MDHYEMXUFSJLGV-UHFFFAOYSA-N

• 8-Azaguanine

IUPAC Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one | CAS Registry Number: 134-58-7
Synonyms: Azaguanine, Guanazolo, Triazologuanine, Pathocidin, Pathocidine, Guanazol, 8-AZAGUANINE, Azan, Azaguanine-8, Prestwick_40, AZAGUANINE,8, nchembio.156-comp2, 8 AG, Prestwick0_000001, Prestwick1_000001, Prestwick2_000001, Prestwick3_000001, NSC749, NCIMech_000065, NSC-749

Molecular Formula:	C₄H₄N₆O	Molecular Weight:	152.114160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: LPXQRXLUHJKZIE-UHFFFAOYSA-N

• 2-Aminoheptanedioic acid

IUPAC Name: 2-aminoheptanedioic acid | CAS Registry Number: 627-76-9
Synonyms: 2-Aminopimelate, DL-2-Aminopimelate, alpha-Aminopimelic acid, dl-2-Aminopimelic acid, Heptanedioic acid, 2-amino-, 2-AMINOPIMELIC ACID, (+-)-2-Aminopimelic acid, dl-.alpha.-Aminopimelic acid, (2S)-2-aminoheptanedioic acid, DL-2-Aminopimelic Acid(alpha-), AIDS109796, AIDS-109796, EINECS 211-011-7, NSC402480, RJC 00670, DB03134, NSC 402480, Heptanedioic acid, 2-amino-, (+-)-, TL8004264, SR-01000639310-1

Molecular Formula:	C₇H₁₃NO₄	Molecular Weight:	175.182420 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: JUQLUIFNNFIIKC-UHFFFAOYSA-N

• (±) Anabasine

IUPAC Name: 3-piperidin-2-ylpyridine | CAS Registry Number: 13078-04-1
Synonyms: Anabasine, Neonicotine, Neonikotin, Anabasin, Anabazin, DL-Anabasine, (+-)-Anabasine, S-(-)-Anabasine, ()-Anabasine, Caswell No. 051, (+/-)-Anabasine, 3-(2-Piperidinyl)pyridine, Piperidine, 2-(3-pyridyl)-, Spectrum_000023, SpecPlus_000616, L-3-(2'-Piperidyl)pyridine, Prestwick0_000669, Prestwick1_000669, Prestwick2_000669, Spectrum2_001792

Molecular Formula:	C₁₀H₁₄N₂	Molecular Weight:	162.231560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-N

• (1S)-(+)-Camphorquinone

IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione | CAS Registry Number: 2767-84-2
Synonyms: Camphorquinone, Camphoroquinone, Camphor quinone, Campherquinone, Camphoquinone, 2,3-Bornanedione, dl-Camphoroquinone, DL-CAMPHORQUINONE, bornane-2,3-dione, dl-Bornane-2,3-dione, (1R)-(-)-Camphorquinone, CCRIS 5320, CCRIS 6299, NSC 285, NSC285, CHEBI:34607, EINECS 207-363-6, EINECS 233-814-1, AIDS017593, AIDS-017593

Molecular Formula:	C₁₀H₁₄O₂	Molecular Weight:	166.216960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VNQXSTWCDUXYEZ-UHFFFAOYSA-N

• 4-Aminoacetophenone

IUPAC Name: 1-(4-aminophenyl)ethanone | CAS Registry Number: 99-92-3
Synonyms: p-Aminoacetophenone, p-Acetylaniline, 4'-Aminoacetophenone, p-Aminoacetylbenzene, 4-ACETYLANILINE, 1-(4-Aminophenyl)ethanone, Acetophenone, p-amino-, Acetophenone, 4'-amino-, nchembio775-comp7, Ethanone, 1-(4-aminophenyl)-, Acetophenone, 4-amino-, p-Aminoacetofenonu [Polish], USAF EK-631, 4-AMINO-ACETOPHENON, WLN: ZR DV1, CCRIS 5061, A38002_ALDRICH, HSDB 2711, NSC 3242, EINECS 202-801-2

Molecular Formula:	C₈H₉NO	Molecular Weight:	135.163160 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: GPRYKVSEZCQIHD-UHFFFAOYSA-N

• 2-Acetylpyrrole

IUPAC Name: 1-(1H-pyrrol-2-yl)ethanone | CAS Registry Number: 1072-83-9
Synonyms: 2-Pyrrolylethanone, 2-ACETYLPYRROLE, Ketone, methyl pyrrol-2-yl, 2-Acetyl-1H-pyrrole, 1-(1H-Pyrrol-2-yl)ethanone, Methyl pyrrol-2-yl ketone, 2-Pyrrolyl methyl ketone, Methyl 2-pyrryl ketone, Ethanone, 1-(1H-pyrrol-2-yl)-, Methyl 2-pyrrolyl ketone, PYRROLE-B-METHYL KETONE, Spectrum2_001956, Spectrum3_001993, Pyrryl-alpha-methyl ketone, 1-(2-Pyrrolyl)-1-ethanone, FEMA No. 3202, CCRIS 6778, BSPBio_003593, SPECTRUM240422, W320218_ALDRICH

Molecular Formula:	C₆H₇NO	Molecular Weight:	109.125880 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: IGJQUJNPMOYEJY-UHFFFAOYSA-N

• 4-Methoxybenzaldehyde

IUPAC Name: 4-methoxybenzaldehyde | CAS Registry Number: 123-11-5
Synonyms: Anisaldehyde, P-ANISALDEHYDE, Crategine, Aubepine, Obepin, Anisic aldehyde, p-Formylanisole, 4-Anisaldehyde, p-Anisic aldehyde, Benzaldehyde, 4-methoxy-, Methoxybenzaldehyde, p-Methoxybenzaldehyde, Formylanisole, p-, Aub+ pine, Benzaldehyde, methoxy-, Anisaldehyde solution, Caswell No. 051E, nchembio.150-comp52, SRA1_SIAL, CCRIS 821

Molecular Formula:	C₈H₈O₂	Molecular Weight:	136.147920 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: ZRSNZINYAWTAHE-UHFFFAOYSA-N

• (S)-10-Hydroxycamptothecin

Synonyms: 10-Hydroxycamptothecin, Hydroxycamptothecin, Hydroxycamptothecine, Camptothecin, hydroxy-, 10-Hydroxy-CPT, HCPT, Spectrum_001639, SpecPlus_000763, 10-Hydroxy camptothecin, Camptothecine, 10-hydroxy-, Spectrum2_001660, Spectrum3_001621, Spectrum4_001815, Spectrum5_000549, Camptothecin, 10-hydroxy-, 10-HCPT, BSPBio_003281, KBioGR_002454, KBioSS_002119, CAMPTOTHECIN, 10-HYDROXY

Molecular Formula:	C₂₀H₁₆N₂O₅	Molecular Weight:	364.351440 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	6

InChIKey: HAWSQZCWOQZXHI-FQEVSTJZSA-N

• (+)-Aromadendrene

IUPAC Name: (1aR,4aS,7R,7aS,7bS)-1,1,7-trimethyl-4-methylidene-2,3,4a,5,6,7,7a,7b-octahydro-1aH-cyclopropa[e]azulene | CAS Registry Number: 489-39-4
Synonyms: (+)-AROMADENDRENE

Molecular Formula:	C₁₅H₂₄	Molecular Weight:	204.351060 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ITYNGVSTWVVPIC-XGFWRYKXSA-N

• 5Alpha-Androstan-17-one

IUPAC Name: (5R,8R,9S,10S,13S,14S)-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one | CAS Registry Number: 963-74-6
Synonyms: Androstan-17-one, 5alpha-Androstan-17-one, 17-Oxo-5alpha-androstane, 5.alpha.-Androstan-17-one, 17-Oxo-5.alpha.-androstane, Androstan-17-one, (5.alpha.)-, NSC90582, EINECS 213-516-8, NSC 90582, ZINC03881387, Androstan-17-one, (5alpha)- (9CI)

Molecular Formula:	C₁₉H₃₀O	Molecular Weight:	274.440900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: YJDYCULVYZDESB-HKQXQEGQSA-N

• 9-Acetylphenanthrene

IUPAC Name: 1-phenanthren-9-ylethanone | CAS Registry Number: 2039-77-2
Synonyms: Methyl 9-phenanthryl ketone, 1-Phenanthren-9-yl-ethanone, A19601_ALDRICH, Ketone, methyl 9-phenanthryl, Ethanone, 1-(9-phenanthrenyl)-, NSC15306, EINECS 218-021-0, NSC231776, RJC 00601, ZINC01043938, 784-04-3

Molecular Formula:	C₁₆H₁₂O	Molecular Weight:	220.265880 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: UIFAWZBYTTXSOG-UHFFFAOYSA-N

• 6-Azauridine

IUPAC Name: 2-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazine-3,5-dione | CAS Registry Number: 54-25-1
Synonyms: Azauridine, Riboazauracil, Riboazauratsil, ribo-Azauracil, Ribo-azuracil, 6-AZAURIDINE, 6-aza-uridine, 6-Azauracil riboside, AzUR, 6-Azauracilriboside, 6-Azur, 6-Azauracil 1-riboside, Oprea1_358279, 6-Azauracil-.beta.-D-riboside, CHEBI:136832, NSC32074, CID233502, NSC 32074, NSC-32074, LT00080684

Molecular Formula:	C₈H₁₁N₃O₆	Molecular Weight:	245.189440 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	7

InChIKey: WYXSYVWAUAUWLD-UHFFFAOYSA-N

• 5-Bromouracil

IUPAC Name: 5-bromo-1H-pyrimidine-2,4-dione | CAS Registry Number: 51-20-7
Synonyms: Uracil, 5-bromo-, BROMOURACIL, Bromuracil, C4H3BrN2O2, 2,4(1H,3H)-Pyrimidinedione, 5-bromo-, Uracil, 5-bromo- (VAN), 5-Bromo-2,4-dihydroxypyrimidine, 852473_ALDRICH, 18660_FLUKA, 5-Bromo-2,4(1H,3H)-pyrimidinedione, 5-bromopyrimidine-2,4(1H,3H)-dione, CHEBI:20552, EINECS 200-084-0, CID5802, NSC 19940, AIDS081810, AIDS-081810, NSC19940, SBB003643, Uracil, 5-bromo- (VAN) (8CI)

Molecular Formula:	C₄H₃BrN₂O₂	Molecular Weight:	190.982820 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: LQLQRFGHAALLLE-UHFFFAOYSA-N

• 5-BrdU

IUPAC Name: 5-bromo-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 59-14-3
Synonyms: Broxuridine, Bromoouridine, Radibud, Brudr, Bromodeoxyuridine, BUDR, 5-Bromodeoxyuridine, Broxuridine [INN], 5-Bromodesoxyuridine, 5-Budr, BRDU, 5-Bdu, 5-Bromo-dURD, nchembio.90-comp6, Bromouracil deoxyriboside, 5-BROMO-2'-DEOXYURIDINE, 5-Bromouracil deoxyriboside, nchembio873-comp41, Broxuridinum [INN-Latin], 5-Bromo-2-deoxyuridine

Molecular Formula:	C₉H₁₁BrN₂O₅	Molecular Weight:	307.098040 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	5

InChIKey: WOVKYSAHUYNSMH-RRKCRQDMSA-N

• 1-Pentanol

IUPAC Name: pentan-1-ol | CAS Registry Number: 71-41-0
Synonyms: Pentyl alcohol, N-Amyl alcohol, n-Pentanol, Pentanol, Pentan-1-ol, Amyl alcohol, Amylol, n-Butylcarbinol, Butylcarbinol, Pentasol, Butyl carbinol, Pentanol-1, 1-Pentyl alcohol, Alcool amylique, n-Amylalkohol, n-Pentan-1-ol, Pentylalkohol, Amylalkohol, pentyl-alcohol, Primary amyl alcohol

Molecular Formula:	C₅H₁₂O	Molecular Weight:	88.148180 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: AMQJEAYHLZJPGS-UHFFFAOYSA-N

• 2,3-Butanediol

IUPAC Name: (2S,3S)-butane-2,3-diol | CAS Registry Number: 513-85-9
Synonyms: (S,S)-2,3-Butanediol, (S,S)-Butane-2,3-diol, (S,S)-2,3-Butylene glycol, L-()-2,3-Butanediol, 300349_ALDRICH, (2S,3S)-butane-2,3-diol, 18967_FLUKA, CHEBI:16812, (S,S)-(+)-2,3-butanediol, CPD-346, 2,3-BUTANEDIOL, 96%, (2S,3S)-()-2,3-Butanediol, (2S,3S)-(+)-2,3-Butanediol, ZINC00901619, TL8001564, C03046, 19132-06-0, BU3

Molecular Formula:	C₄H₁₀O₂	Molecular Weight:	90.121000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OWBTYPJTUOEWEK-IMJSIDKUSA-N

• (±)-Abscisic acid

IUPAC Name: (2Z,4E)-5-(1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acid | CAS Registry Number: 14375-45-2
Synonyms: Abscisinsaeure, Abszisinsaeure, acido abscisico, Dormin, ABSCISIC ACID, acide abscissique, ()-Abscisic acid, Spectrum5_000342, BSPBio_002916, 2-cis,4-trans-Abscisic acid, A1049_SIGMA, SPECTRUM1502234, 862169_ALDRICH, CHEBI:22152, SBB003072, SDCCGMLS-0066860.P001, NCGC00091094-01, NCGC00091094-02, NCGC00091094-03, NCGC00091094-04

Molecular Formula:	C₁₅H₂₀O₄	Molecular Weight:	264.316900 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JLIDBLDQVAYHNE-LXGGSRJLSA-N

• 2-Acetamido-2-Deoxy-Alpha-D-Glucopyranose

IUPAC Name: N-[(2S,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide | CAS Registry Number: 10036-64-3
Synonyms: 1rdn, 1ax0, UNII-T13TI5GH3D, N-Acetyl-alpha-D-glucosamine, N-acetyl-alpha-D-glucosaminides, CHEBI:27425, MolPort-000-146-208, CID82313, EINECS 233-115-1, ZINC03860151, SB01966, 2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE, SR-01000634877-1, NDG, NAG

Molecular Formula:	C₈H₁₅NO₆	Molecular Weight:	221.207800 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	6

InChIKey: OVRNDRQMDRJTHS-PVFLNQBWSA-N

• 4-Aminopyridine

IUPAC Name: pyridin-4-amine | CAS Registry Number: 504-24-5
Synonyms: 4-aminopyridine, 4-Pyridinamine, Fampridine, Avitrol, 4-Pyridylamine, p-Aminopyridine, Fampridine-SR, Neurelan, Pymadine, pyridin-4-amine, Pyridine, 4-amino-, Amino-4 pyridine, gamma-Aminopyridine, Aminopyridine, Ampydin, Pymadin, 4 Aminopyridine, Avitrol 200, Fampridine SR, Pimadin (free base)

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

• (1R)-(-)-Camphorquinone

IUPAC Name: (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione | CAS Registry Number: 10334-26-6
Synonyms: Camphorquinone, ()-Camphorquinone, 2,3-Bornanedione, Ambap5942, DL-CAMPHORQUINONE, (1R)-bornane-2,3-dione, 124893_ALDRICH, CHEBI:36778, CID641916, ZINC01555410, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, 10373-78-1, InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H, 465-29-2

Molecular Formula:	C₁₀H₁₄O₂	Molecular Weight:	166.216960 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: VNQXSTWCDUXYEZ-LDWIPMOCSA-N

• 2-Butanone

IUPAC Name: butan-2-one | CAS Registry Number: 78-93-3
Synonyms: Butanone, Butan-2-one, Meetco, Methyl acetone, Ethyl methyl ketone, METHYL ETHYL KETONE, Methylethylketone, Oxobutane, 3-Butanone, Methylethyl ketone, methylacetone, Ethylmethylketon, Methylethylketon, Acetone, methyl-, ethylmethylketone, Aethylmethylketon, Metyl ethyl ketone, 2-butanon, Butanone 2, Ketone, ethyl methyl

Molecular Formula:	C₄H₈O	Molecular Weight:	72.105720 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: ZWEHNKRNPOVVGH-UHFFFAOYSA-N

• (-)-borneol

IUPAC Name: (1S,4S,6R)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol | CAS Registry Number: 464-45-9
Synonyms: L-Borneol, (-)-Borneol, Ambap7260, (−)-Borneol, [(1s)-endo]-(-)-borneol, 139114_ALDRICH, 15598_FLUKA, CHEBI:15394, (1S,2R,4S)-(-)-Borneol, ZINC00967533, [(1S)-endo]-(−)-Borneol, (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, (1S-endo)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol, endo-(1S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol, 507-70-0

Molecular Formula:	C₁₀H₁₈O	Molecular Weight:	154.249320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: DTGKSKDOIYIVQL-QXFUBDJGSA-N

• 2-Aminopyridine

IUPAC Name: pyridin-2-amine | CAS Registry Number: 504-29-0
Synonyms: 2-Pyridinamine, 2-AMINOPYRIDINE, 2-Pyridylamine, o-Aminopyridine, 2-Aminopryidine, Aminopyridine, Pyridinamine, pyridin-2-amine, alpha-Pyridinamine, alpha-Pyridylamine, Amino-2 pyridine, Pyridine, amino-, 2-Pyridinylnitrene, alpha-Aminopyridine, 2-pyridinylamine, Pyridine, 2-amino-, .beta.-Pyridylamine, .alpha.-Pyridinamine, .alpha.-Pyridylamine, Pyridinamine (9CI)

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: ICSNLGPSRYBMBD-UHFFFAOYSA-N

• 5a-Pregnane-3,20-dione

IUPAC Name: (5S,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one | CAS Registry Number: 566-65-4
Synonyms: 3,20-Allopregnanedione, 5alpha-Dihydroprogesterone, 5-alpha-Dihydroprogesterone, 3,20-Dioxo-5alpha-pregnane, 5alpha-Pregnane-3,20-dione, 5beta-Pregnane-3,20-dione, 5-alpha-Pregnane-3,20-dione, 5.alpha.-Dihydroprogesterone, 5.beta.-Pregnane-3,20-dione, 3,20-Dioxo-5.alpha.-pregnane, 5.alpha.-Pregnane-3,20-dione, CHEBI:28952, EINECS 209-297-3, NSC 18319, NSC18319, BRN 2058506, Pregnane-3,20-dione, (5alpha)-, Pregnane-3,20-dione, (5-alpha)-, 5alpha-Pregnane-3,20-dione (8CI), Pregnane-3,20-dione, (5.alpha.)-

Molecular Formula:	C₂₁H₃₂O₂	Molecular Weight:	316.477580 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: XMRPGKVKISIQBV-BJMCWZGWSA-N

• (-)-1,4-Anhydro-L-Threitol

IUPAC Name: oxolane-3,4-diol | CAS Registry Number: 4358-64-9
Synonyms: 1,4-Anhydro-l-threitol, 1,4-Anhydroerythritol, cis-Tetrahydrofuran-3,4-diol, trans-Tetrahydrofuran-3,4-diol, 3,4-Furandiol, tetrahydro-, trans-, NSC295602, BB_NC-0093, CID90803, 3,4-Furandiol, tetrahydro-, cis-, EINECS 224-433-1, EINECS 245-074-7, 22554-74-1, 59727-71-8

Molecular Formula:	C₄H₈O₃	Molecular Weight:	104.104520 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: SSYDTHANSGMJTP-UHFFFAOYSA-N

• 2-tert-Butyl-1,4-benzoquinone

IUPAC Name: 2-tert-butylcyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 3602-55-9
Synonyms: tert-Butylquinone, t-Butylquinone, tert-Butylbenzoquinone, tert-Butyl-p-quinone, 2-tert-Butyl quinone, tert-Butyl-p-benzoquinone, 2-tert-Butyl-p-quinone, 2-tert-Butyl-4-quinone, 2-tert-Butyl-p-benzoquinone, tert-Butyl-1,4-benzoquinone, CCRIS 1263, p-BENZOQUINONE, 2-tert-BUTYL-, 429074_ALDRICH, EINECS 222-757-8, NSC 124503, BRN 1860944, NSC124503, LS-40326, 2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-, 2-(1,1-Dimethylethyl)-2,5-cyclohexadien-1,4-dione

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NCCTVAJNFXYWTM-UHFFFAOYSA-N

• 2-Bromobutane

IUPAC Name: 2-bromobutane | CAS Registry Number: 78-76-2
Synonyms: Butane, 2-bromo-, 2-Butyl bromide, SEC-BUTYL BROMIDE, Methylethylbromomethane, sJPHAbILuP@, Secondary butyl bromide, CCRIS 106, B59500_ALDRICH, HSDB 2197, WLN: EY2&1, NSC 8417, 19690_FLUKA, EINECS 201-140-7, NSC8417, UN2339, BRN 0505949, AI3-25262, LS-45623, 2-Bromobutane [UN2339] [Flammable liquid], 2-Bromobutane [UN2339] [Flammable liquid]

Molecular Formula:	C₄H₉Br	Molecular Weight:	137.018260 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: UPSXAPQYNGXVBF-UHFFFAOYSA-N

• 1,4-Chinone

IUPAC Name: cyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 106-51-4
Synonyms: p-benzoquinone, Quinone, Benzoquinone, Chinone, p-Quinone, para-Quinone, Steara pbq, Cyclohexadienedione, 1,4-BENZOQUINONE, 1,4-Benzoquine, 1,4-Dioxybenzene, para-Benzoquinone, Benzo-1,4-quinone, Chinon, Benzo-chinon, 1,4-Cyclohexadienedione, 2,5-Cyclohexadiene-1,4-dione, p-Chinon, Semiquinone anion, p-Chinon [German]

Molecular Formula:	C₆H₄O₂	Molecular Weight:	108.094760 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: AZQWKYJCGOJGHM-UHFFFAOYSA-N

• 3-Aminopyridine

IUPAC Name: pyridin-3-amine | CAS Registry Number: 462-08-8
Synonyms: 3-Pyridinamine, 3-AMINOPYRIDINE, 3-Pyridylamine, Amino-3 pyridine, beta-Aminopyridine, Pyridine, 3-amino-, pyridin-3-amine, pyridin-3-ylamine, .beta.-Aminopyridine, WLN: T6NJ CZ, A78209_ALDRICH, 09360_FLUKA, EINECS 207-322-2, NSC 15040, UN2671, AIDS021196, AIDS-021196, NSC15040, BRN 0105692, SBB004395

Molecular Formula:	C₅H₆N₂	Molecular Weight:	94.114540 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N

• (Z)-Aconitic acid

IUPAC Name: (Z)-prop-1-ene-1,2,3-tricarboxylic acid | CAS Registry Number: 585-84-2
Synonyms: cis-Aconitic acid, Achilleaic acid, cis-aconitate, Citridinic acid, Pyrocitric acid, Achilleic acid, Equisetic acid, Citridic acid, cis-Aconic acid, trans-Aconitic acid, ACONITIC ACID, cis-Oxaloacetic acid, 3-Carboxyglutaconic acid, ACONITATE, CIS, Glutaconic acid, 3-carboxy-, 3-Carboxy-2-pentenedioic acid, FEMA No. 2010, CCRIS 2507, HSDB 635, 1-Propene-1,2,3-tricarboxylic acid

Molecular Formula:	C₆H₆O₆	Molecular Weight:	174.108240 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: GTZCVFVGUGFEME-IWQZZHSRSA-N