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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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• β-Carotene

IUPAC Name: 1,3,3-trimethyl-2-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexen-1-yl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexene | CAS Registry Number: 7235-40-7
Synonyms: beta-carotene, beta,beta-Carotene, Carotaben, Solatene, beta Carotene, Provitamin A, Provatene, Serlabo, Betacarotene, Vetoron, .beta. Carotene, Solatene (caps), trans-B-Carotene, Karotin [Czech], beta-Karotin, Food orange 5, b-Carotene, beta;-Carotene, .beta.-Carotene, Natural Yellow 26

Molecular Formula:	C₄₀H₅₆	Molecular Weight:	536.872640 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: OENHQHLEOONYIE-JLTXGRSLSA-N

• β-Caryophyllene

IUPAC Name: (1R,4E,9S)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene | CAS Registry Number: 87-44-5
Synonyms: Caryophyllene, BETA-CARYOPHYLLENE, Isocaryophyllene, L-Caryophyllene, beta-Caryophyllen, trans-Caryophyllene, Caryophyllene (VAN), .beta.-(E)-Caryophyllene, (-)-trans-Caryophyllene, beta-Caryophyllene (natural), C9653_SIGMA, W225207_ALDRICH, FEMA No. 2252, 22075_FLUKA, (−)-trans-Caryophyllene, EINECS 201-746-1, LMPR01030030, NSC 11906, SBB012403, NCGC00142620-01

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

InChIKey: NPNUFJAVOOONJE-GFUGXAQUSA-N

• γ-Aminobutyric acid

IUPAC Name: 4-aminobutanoic acid | CAS Registry Number: 56-12-2
Synonyms: 4-Aminobutanoic acid, 4-aminobutyric acid, Piperidic acid, Gammalon, Piperidinic acid, GABA, Gammalone, Mielomade, Aminalon, Gaballon, Gammasol, Mielogen, Gamarex, Gammar, gamma-aminobutyric acid, Reanal, 4-aminobutyrate, 4-aminobutanoate, Gamastan, Gammagee

Molecular Formula:	C₄H₉NO₂	Molecular Weight:	103.119760 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: BTCSSZJGUNDROE-UHFFFAOYSA-N

• kaempferide

IUPAC Name: 3,5,7-trihydroxy-2-(4-methoxyphenyl)chromen-4-one | CAS Registry Number: 491-54-3
Synonyms: Kaempferide, Kaempferid, 4'-Methylkaempferol, Kaempferol 4'-methyl ether, 4'-O-Methylkaempferol, KAMPFERIDE, CHEBI:6099, EINECS 207-738-4, 4'-Methoxy-3,5,7-trihydroxyflavone, NSC407294, AIDS071768, Flavone, 3,5,7-trihydroxy-4'-methoxy-, NSC 407294, AIDS-071768, BRN 0305378, ZINC00391145, 3,5,7-Trihydroxy-4'-methoxyflavone, CID5281666, LS-68935, ST5331656

Molecular Formula:	C₁₆H₁₂O₆	Molecular Weight:	300.262880 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: SQFSKOYWJBQGKQ-UHFFFAOYSA-N

• L-(+)-Abrine

IUPAC Name: (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid | CAS Registry Number: 526-31-8
Synonyms: Abrine, L-Abrine, L-2-Methyltryptophan, N-Methyl-L-tryptophan, N-Metil-L-triptofano, N-Methyl-L-tryptophane, Nalpha-Methyl-L-tryptophan, N(alpha)-methyl-L-tryptophan, 434248_ALDRICH, 69555_FLUKA, CHEBI:15334, EINECS 208-388-5, ABRINE (N-METHYL TRYPTOPHAN), CID160511, SBB012419, NCGC00142581-01, A-0100, C02983, (2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid

Molecular Formula:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: CZCIKBSVHDNIDH-NSHDSACASA-N

• L-Alanine

IUPAC Name: (2S)-2-aminopropanoic acid | CAS Registry Number: 56-41-7
Synonyms: alanine, L-alanine, L-alpha-alanine, (S)-Alanine, polyalanine, L-2-Aminopropionic acid, 2-Aminopropionic acid, alpha-Alanine, L-(+)-Alanine, Alaninum [Latin], a-Alanine, D-alpha-Alanine, Poly-L-alanine, Poly-DL-alanine, (L)-Alanine, L-Alanin, Alanine (VAN), DL-alpha-Alanine, L-2-Aminopropanoic acid, L-a-Alanine

Molecular Formula:	C₃H₇NO₂	Molecular Weight:	89.093180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: QNAYBMKLOCPYGJ-REOHCLBHSA-N

• L-Alanine 2-naphthylamide

IUPAC Name: 2-amino-N-naphthalen-2-ylpropanamide | CAS Registry Number: 720-82-1
Synonyms: 2-Naphthylalanine amide, Alanine-beta-naphthylamide, L-Alanine beta-naphthylamide, dl-Alanine-beta-naphthylamide, A2628_SIGMA, .beta.-Naphthylamine, N-alanyl-, NSC83632, EINECS 211-956-5, NSC 83632, (S)-2-Amino-N-(2-naphthyl)propionamide, ST5409893, Propanamide, 2-amino-N-2-naphthalenyl-, (+-)-, 2149-46-4

Molecular Formula:	C₁₃H₁₄N₂O	Molecular Weight:	214.263060 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: RQHPADKWNYTHOH-UHFFFAOYSA-N

• L-Albizziin

IUPAC Name: (2S)-2-amino-3-(carbamoylamino)propanoic acid | CAS Registry Number: 1483-07-4
Synonyms: Albizziin, L-Albizziine, Albizzine, Albizziin (VAN), 3-Ureido-L-alanin, L-beta-Ureidoalanine, Ambap7483, L-2-Amino-3-ureidopropionic acid, 861456_ALDRICH, EINECS 216-046-1, L-Alanine, 3-((aminocarbonyl)amino)-, NSC 132089, NSC 407273, L-(-)-2-Amino-3-ureidopropionic acid, Propionic acid, 2-amino-3-ureido-, L-, A-4650, C08264, L-(−)-2-Amino-3-ureidopropionic acid

Molecular Formula:	C₄H₉N₃O₃	Molecular Weight:	147.132560 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	4

InChIKey: GZYFIMLSHBLMKF-REOHCLBHSA-N

• L-Arabinitol

IUPAC Name: pentane-1,2,3,4,5-pentol | CAS Registry Number: 7643-75-6
Synonyms: ribitol, adonitol, xylitol, Adonit, D-Arabinitol, Pentitol, Xylite, D-Arabitol, L-arabinitol, L-arabitol, Adonite, arabitol, Arabinitol, D-, arabinitol, D-Arabinol, D-Lyxitol, D-Xylitol, Klinit, meso-ribitol, Arabinitol, L-

Molecular Formula:	C₅H₁₂O₅	Molecular Weight:	152.145780 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: HEBKCHPVOIAQTA-UHFFFAOYSA-N

• L-Arginine

IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid | CAS Registry Number: 74-79-3
Synonyms: L-arginine, arginine, L-(+)-Arginine, Polyarginine, Detoxargin, Argamine, Argivene, DL-Arginine, Levargin, Minophagen A, Poly(L-arginine), (L)-Arginine, Arginine (VAN), L-Arginin, L-Arg, 1laf, R-Gene, Arginine, DL-, ARGININE, L-, nchembio.92-comp1

Molecular Formula:	C₆H₁₄N₄O₂	Molecular Weight:	174.200960 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: ODKSFYDXXFIFQN-BYPYZUCNSA-N

• L-Ascorbic acid

IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one | CAS Registry Number: 50-81-7
Synonyms: ascorbic acid, l-ascorbic acid, vitamin C, Ascorbicap, ascorbate, L-ascorbate, Ascoltin, Ascorbutina, Laroscorbine, Testascorbic, Vitascorbol, Allercorb, Ascorbajen, Ascorteal, Cescorbat, Cetemican, Cevitamin, Citriscorb, Lemascorb, Natrascorb

Molecular Formula:	C₆H₈O₆	Molecular Weight:	176.124120 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: TYQCGQRIZGCHNB-JLAZNSOCSA-N

• L-Asparagine

IUPAC Name: (2S)-2,4-diamino-4-oxobutanoic acid | CAS Registry Number: 70-47-3
Synonyms: L-asparagine, asparagine, Asparamide, asparagine acid, Aspartamic acid, agedoite, altheine, (S)-asparagine, L-Aspartamine, (-)-asparagine, L-b-Asparagine, Crystal VI, L-asparatamine, Asparagine, L-, L-Asparagin, Aspartic acid amide, 2-Aminosuccinamic acid, Asparagine (VAN), alpha-aminosuccinamic acid, nchembio816-comp5

Molecular Formula:	C₄H₈N₂O₃	Molecular Weight:	132.117920 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: DCXYFEDJOCDNAF-REOHCLBHSA-N

• L-Aspartic acid

IUPAC Name: (2S)-2-aminobutanedioic acid | CAS Registry Number: 56-84-8
Synonyms: L-aspartic acid, aspartic acid, Asparagic acid, aspartate, Asparaginic acid, Aspatofort, L-Aspartinsaeure, L-Asparaginsaeure, L-Asparagic acid, L-Asparaginsyra, Acidum asparticum, L-Asparaginic acid, Aminosuccinic acid, L-aspartate, (2S)-Aspartic acid, (S)-Aspartic acid, L-Aminosuccinic acid, Polysuccinimide, H-Asp-OH, Aspartic acid, L-

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

InChIKey: CKLJMWTZIZZHCS-REOHCLBHSA-N

• L-Canavanine sulfate

IUPAC Name: (2S)-2-azaniumyl-4-(diaminomethylideneazaniumyloxy)butanoate | CAS Registry Number: 2219-31-0
Synonyms: ZINC01532610

Molecular Formula:	C₅H₁₃N₄O₃+	Molecular Weight:	177.181720 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	5

InChIKey: FSBIGDSBMBYOPN-VKHMYHEASA-O

• L-Carnosine

IUPAC Name: (2S)-2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid | CAS Registry Number: 305-84-0
Synonyms: Carnosine, Spectrum_001178, SpecPlus_000374, Spectrum2_000454, Spectrum3_001212, Spectrum4_001673, Spectrum5_000605, BSPBio_002624, KBioGR_002225, KBioSS_001658, C9625_SIGMA, DivK1c_006470, SPECTRUM1500944, Nalpha-(beta-alanyl)-L-histidine, SPBio_000528, L-alpha-ALANYL-L-HISTIDINE, CHEBI:15727, KBio1_001414, KBio2_001658, KBio2_004226

Molecular Formula:	C₉H₁₄N₄O₃	Molecular Weight:	226.232460 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	6

InChIKey: CQOVPNPJLQNMDC-ZETCQYMHSA-N

• M-Methoxy Benzaldehyde

IUPAC Name: 3-methoxybenzaldehyde | CAS Registry Number: 591-31-1
Synonyms: 3-Methoxybenzaldehyde, M-ANISALDEHYDE, 3-Anisaldehyde, m-Methoxybenzaldehyde, Benzaldehyde, 3-methoxy-, Metamethoxybenzaldehyde, CCRIS 960, W513105_ALDRICH, 129658_ALDRICH, 64780_FLUKA, EINECS 209-712-8, NSC 43794, CID11569, CPD-8779, NSC43794, BRN 0606013, ZINC01676373, AI3-52556, LS-20019, ST5213433

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

InChIKey: WMPDAIZRQDCGFH-UHFFFAOYSA-N

• Matricaria (Chamomile)

IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | CAS Registry Number: 21368-68-3
Synonyms: camphor, 2-Camphanone, Formosa camphor, Laurel camphor, 2-Bornanone, DL-Camphor, Gum camphor, Alcanfor, Alphanon, Root bark oil, Sarna, Heet, Spirit of camphor, Japanese camphor, (+)-Camphor, Kampfer, Camphor USP, d-2-Camphanone, Matricaria camphor, Japan camphor

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

InChIKey: DSSYKIVIOFKYAU-UHFFFAOYSA-N

• Methyl anthranilate

IUPAC Name: methyl 2-aminobenzoate | CAS Registry Number: 134-20-3
Synonyms: Nevoli oil, Methyl 2-aminobenzoate, Methylanthranilate, METHYL ANTHRANILATE, o-Carbomethoxyaniline, Methyl o-aminobenzoate, 2-Carbomethoxyaniline, Neroli oil, artifical, Neroli oil, artificial, Anthranilic acid, methyl ester, 2-(Methoxycarbonyl)aniline, Anthranilic acid methyl ester, Amino methyl benzoate, o-, Benzoic acid, 2-amino-, methyl ester, Methyl anthranilate (natural), 2-Aminobenzoic acid methyl ester, WLN: ZR BVO1, Anthranilic acid methylester, PS2055_SUPELCO, FEMA No. 2682

Molecular Formula:	C₈H₉NO₂	Molecular Weight:	151.162560 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: VAMXMNNIEUEQDV-UHFFFAOYSA-N

• Methyl arachidate

IUPAC Name: methyl icosanoate | CAS Registry Number: 1120-28-1
Synonyms: Methyl arachisate, Methyl icosanoate, METHYL EICOSANOATE, Eicosanoic acid, methyl ester, Arachidic acid methyl ester, Arachidic acid methylester, A3881_SIGMA, 10941_FLUKA, CID14259, EINECS 214-304-8, OR30638, AI3-36455

Molecular Formula:	C₂₁H₄₂O₂	Molecular Weight:	326.556980 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QGBRLVONZXHAKJ-UHFFFAOYSA-N

• Methyl behenate

IUPAC Name: methyl docosanoate | CAS Registry Number: 929-77-1
Synonyms: Methyl docosanoate, Docosanoic acid, methyl ester, BEHENIC ACID, METHYL ESTER, Behenic acid methyl ester, Docosanoic acid methyl ester, HSDB 2724, B3271_SIGMA, 11940_FLUKA, EINECS 213-207-8, NSC 158426, CID13584, DOCOSANOIC ACID,METHYL ESTER, NSC158426, AI3-36456, LS-195284, InChI=1/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H

Molecular Formula:	C₂₃H₄₆O₂	Molecular Weight:	354.610140 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: QSQLTHHMFHEFIY-UHFFFAOYSA-N

• Methyl Caproate

IUPAC Name: methyl hexanoate | CAS Registry Number: 106-70-7
Synonyms: Methyl caproate, Methyl hexoate, Methyl capronate, Methyl hexylate, METHYL HEXANOATE, Methyl n-hexanoate, Hexanoic acid, methyl ester, Methyl caproate (natural), Caproic acid methyl ester, FEMA No. 2708, W270806_ALDRICH, W270814_ALDRICH, 259942_ALDRICH, NSC 5023, 21599_FLUKA, EINECS 203-425-1, HEXANOIC ACID,METHYL ESTER, NSC5023, BRN 1744683, ZINC01680660

Molecular Formula:	C₇H₁₄O₂	Molecular Weight:	130.184860 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NUKZAGXMHTUAFE-UHFFFAOYSA-N

• Methyl decanoate

IUPAC Name: methyl decanoate | CAS Registry Number: 110-42-9
Synonyms: Methyl caprate, Methyl caprinate, METHYL DECANOATE, Methyl-n-caprate, Capric acid methyl ester, Methyl n-caprate, Uniphat A30, Decanoic acid, methyl ester, Metholene 2095, Methyl n-decanoate, Methyl decanoate (natural), Decanoic acid methyl ester, CCRIS 673, HSDB 5399, W505501_ALDRICH, 299030_ALDRICH, NSC 3713, 21479_FLUKA, EINECS 203-766-6, DECANOIC ACID,METHYL ESTER

Molecular Formula:	C₁₁H₂₂O₂	Molecular Weight:	186.291180 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: YRHYCMZPEVDGFQ-UHFFFAOYSA-N

• Methyl octanoate

IUPAC Name: methyl octanoate | CAS Registry Number: 111-11-5
Synonyms: Methyl caprylate, Methyl octylate, Methyl n-octanoate, Uniphat A20, Caprylic acid methyl ester, OCTANOIC ACID, METHYL ESTER, Methyl caprylate (natural), Octanoic acid methyl ester, FEMA No. 2728, HSDB 5544, W272809_ALDRICH, 260673_ALDRICH, NSC 3710, 21719_FLUKA, EINECS 203-835-0, CID8091, NSC3710, Fatty acids, C6-12, Me esters, BRN 1752270, AI3-01979

Molecular Formula:	C₉H₁₈O₂	Molecular Weight:	158.238020 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: JGHZJRVDZXSNKQ-UHFFFAOYSA-N

• N-Acetyl-5-hydroxytryptamine

IUPAC Name: N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide | CAS Registry Number: 1210-83-9
Synonyms: N-acetylserotonin, Normelatonin, N-acetyl-serotonin, Spectrum_000369, Spectrum3_001871, Spectrum4_001268, Spectrum5_000975, Lopac-A-1824, N-ACETYL SEROTONIN, Lopac0_000044, BSPBio_003342, KBioGR_001856, KBioSS_000849, MLS000859911, A1824_SIGMA, DivK1c_000668, SPECTRUM1500700, CHEBI:17697, KBio1_000668, KBio2_000849

Molecular Formula:	C₁₂H₁₄N₂O₂	Molecular Weight:	218.251760 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	3

InChIKey: MVAWJSIDNICKHF-UHFFFAOYSA-N

• N-Acetyl-DL-methionine

IUPAC Name: (2S)-2-acetamido-4-methylsulfanylbutanoic acid | CAS Registry Number: 1115-47-5
Synonyms: N-Acetylmethionine, Maybridge1_002609, DL-ACETYLMETHU=IONINE, DivK1c_001361, SBB006737, CDS1_000321, SR-01000634087-1, AME

Molecular Formula:	C₇H₁₃NO₃S	Molecular Weight:	191.248020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: XUYPXLNMDZIRQH-LURJTMIESA-N

• N-Acetyl-DL-O-fluorophenylalanine

IUPAC Name: 2-acetamido-3-(2-fluorophenyl)propanoic acid | CAS Registry Number: 66574-84-3
Synonyms: N-Acetyl-dl-o-fluorophenylalanine, EINECS 266-409-3, NSC270550, DL-Phenylalanine, N-acetyl-2-fluoro-, N-Acetyl-2-fluoro-3-phenyl-DL-alanine, ST5307062

Molecular Formula:	C₁₁H₁₂FNO₃	Molecular Weight:	225.216283 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: ZKZPFAQDTBSPJH-UHFFFAOYSA-N

• N-Acetyl-Dl-Penicillamine

IUPAC Name: (2R)-2-acetamido-3-methyl-3-sulfanylbutanoate | CAS Registry Number: 59-53-0
Synonyms: ZINC00154546, CID6931090

Molecular Formula:	C₇H₁₂NO₃S-	Molecular Weight:	190.240080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: MNNBCKASUFBXCO-RXMQYKEDSA-M

• N-Acetyl-Dl-Valine

IUPAC Name: 2-acetamido-3-methylbutanoic acid | CAS Registry Number: 3067-19-4
Synonyms: N-Acetylvaline, N-Acetyl-D-valine, L-Valine, N-acetyl-, N-Acetyl-DL-valine, D-Valine, N-acetyl-, Valine, N-acetyl-, L-, DL-Valine, N-acetyl-, 01550_FLUKA, NSC19758, NSC122016, 17916-88-0, InChI=1/C7H13NO3/c1-4(2)6(7(10)11)8-5(3)9/h4,6H,1-3H3,(H,8,9)(H,10,11

Molecular Formula:	C₇H₁₃NO₃	Molecular Weight:	159.183020 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: IHYJTAOFMMMOPX-UHFFFAOYSA-N

• N-Acetyl-L-tyrosine

IUPAC Name: 2-acetamido-3-(4-hydroxyphenyl)propanoic acid | CAS Registry Number: 537-55-3
Synonyms: N-Acetyltyrosine, N-Acetyl-D-tyrosine, L-Tyrosine, N-acetyl-, Tyrosine, N-acetyl-, L-, Oprea1_187931, NSC10853, N-Acetyl-4-hydroxyphenylalanine, EINECS 243-279-6, NCI60_000201, 2-Acetylamino-3-(4-hydroxy-phenyl)-propionic acid, 19764-32-0

Molecular Formula:	C₁₁H₁₃NO₄	Molecular Weight:	223.225220 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: CAHKINHBCWCHCF-UHFFFAOYSA-N

• N-Acetyl-L-tyrosine ethyl ester

IUPAC Name: ethyl (2S)-2-acetamido-3-(4-hydroxyphenyl)propanoate | CAS Registry Number: 36546-50-6
Synonyms: Ac-Tyr-OEt, Ethyl acetyltyrosine, ATEE, Ethyl acetyltyrosinate, acetyltyrosine ethyl ester, Ethyl N-acetyl-L-tyrosinate, N-Acetyltyrosine ethyl ester, A6751_SIGMA, Acetyl-L-tyrosine ethyl ester, N-Acetyl-L-tyrosyl ethyl ester, Ethyl N-alpha-acetyl-tyrosinate, CHEBI:28828, N-ACETYL-L-TYROSINE ETHYL ESTER, EINECS 212-663-5, L-Tyrosine, N-acetyl-, ethyl ester, NSC 64725, NSC 87506, ZINC01529249, N-Acetyl-L-tyrosine ethyl ester monohydrate, ST5320030

Molecular Formula:	C₁₃H₁₇NO₄	Molecular Weight:	251.278380 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: SKAWDTAMLOJQNK-LBPRGKRZSA-N

• N-Acetylneuraminic acid

IUPAC Name: (2S,4S,5R,6R)-5-acetamido-2,4-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid | CAS Registry Number: 131-48-6
Synonyms: Lactaminic acid, sialic acid, Aceneuramic acid, beta-Neu5Ac, Sialic acid analog, Neu5Ac, NANA, Ambap157, N-acetylneuraminic acid, BETA-SIALIC ACID, Neuraminic acid, N-acetyl-, N-acetyl-beta-neuraminic acid, A0812_SIGMA, A2388_SIGMA, A9646_SIGMA, 855650_ALDRICH, CHEBI:45744, AIDS012200, AIDS-012200, NSC111756

Molecular Formula:	C₁₁H₁₉NO₉	Molecular Weight:	309.269860 [g/mol]
H-Bond Donor:	7	H-Bond Acceptor:	9

InChIKey: SQVRNKJHWKZAKO-PFQGKNLYSA-N

• N-Butyl Acetate

IUPAC Name: butyl acetate | CAS Registry Number: 123-86-4
Synonyms: Butyl acetate, Butyl ethanoate, N-BUTYL ACETATE, 1-Butyl acetate, n-Butyl ethanoate, Butylacetat, Acetic acid, butyl ester, Butylacetaten, Butylazetat, Acetate de butyle, n-Butylacetate, 1-acetoxybutane, Octan n-butylu, Butyl acetate, n-, Butylacetat [German], Butile(acetati di), Butyle(acetate de), Butylacetaten [Dutch], Essigsaeurebutylester, Acetic acid n-butyl ester

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: DKPFZGUDAPQIHT-UHFFFAOYSA-N

• N-Caproic Acid (Hexanoic Acid)

IUPAC Name: hexanoic acid | CAS Registry Number: 142-62-1
Synonyms: Caproic acid, HEXANOIC ACID, n-Caproic acid, Capronic acid, Hexoic acid, n-Hexanoic acid, Butylacetic acid, Pentiformic acid, n-Hexylic acid, n-Hexoic acid, Pentylformic acid, 1-Hexanoic acid, Hexylic acid, Hexanoate, Hexacid 698, Pentanecarboxylic acid, 1-Pentanecarboxylic acid, Hexanoic acid (natural), Acid C-6, Ambap4406

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: FUZZWVXGSFPDMH-UHFFFAOYSA-N

• Negletein

IUPAC Name: 5,6-dihydroxy-7-methoxy-2-phenylchromen-4-one | CAS Registry Number: 29550-13-8
Synonyms: Flavone der., 7-Methoxybaicalein, Baicalein-7-methylether, CHEBI:178649, AIDS071771, AIDS-071771, CID471719, LMPK12111097, ZINC00039288, LT00847906, 5,6-Dihydroxy-7-methoxy-2-phenyl-chromen-4-one, 5,6-Dihydroxy-7-methoxy-2-phenyl-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 5,6-dihydroxy-7-methoxy-2-phenyl-

Molecular Formula:	C₁₆H₁₂O₅	Molecular Weight:	284.263480 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ZTHLHHDJRXJGRX-UHFFFAOYSA-N

• Neoandrographolide

IUPAC Name: 4-[2-[(4aS,5R,8aS)-5,8a-dimethyl-2-methylidene-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one | CAS Registry Number: 27215-14-1
Synonyms: CID160143, 2(5H)-Furanone, 3-(2-(5-((beta-D-glucopyranosyloxy)methyl)decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl)ethyl)-, (1R-(1alpha,4abeta,5alpha,8aalpha))-

Molecular Formula:	C₂₆H₄₀O₈	Molecular Weight:	480.591000 [g/mol]
H-Bond Donor:	4	H-Bond Acceptor:	8

InChIKey: YGCYRQKJYWQXHG-JXAGCRMJSA-N

• Nonivamide

IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]nonanamide | CAS Registry Number: 2444-46-4
Synonyms: Pseudocapsaicin, N-Vanillylnonanamide, N-Vanillylnonamide, N-Vanillylpelargonamide, Nonylvanylamide, Capsaicin, NONIVAMIDE, Vanillyl-N-nonylamide, Nonivamide [INN], Vanillyl n-nonoylamide, Pelargonyl vanillylamide, Capsaicin synthetic, N-Nonanoyl vanillylamide, Pelargonic acid vanillylamide, Nonanoic acid vanillylamide, Nonoyl vanillylamide, Nonanamide, N-vanillyl-, Vanillyl pelargonic amide, N-vanillyl nonanamide, Nonanoyl vanillylamide

Molecular Formula:	C₁₇H₂₇NO₃	Molecular Weight:	293.401180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: RGOVYLWUIBMPGK-UHFFFAOYSA-N

• O-Anisaldehyde

IUPAC Name: 2-methoxybenzaldehyde | CAS Registry Number: 135-02-4
Synonyms: o-Anisaldehyde, 2-Anisaldehyde, Benzaldehyde, 2-methoxy-, o-Methoxybenzaldehyde, o-Anisaldehyde,, Formylanisole, o-, 6-Methoxybenzaldehyde, 2-METHOXYBENZALDEHYDE, Benzaldehyde, o-methoxy-, Salicylaldehyde methyl ether, 2-Methoxyphenylformaldehyde, 2-Methoxybenzenecarboxaldehyde, 109622_ALDRICH, 64770_FLUKA, EINECS 205-171-7, NSC 58960, NSC58960, BRN 0606301, ZINC01090557, AI3-01375

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

InChIKey: PKZJLOCLABXVMC-UHFFFAOYSA-N

• Octanoic acid

IUPAC Name: octanoic acid | CAS Registry Number: 124-07-2
Synonyms: octanoic acid, caprylic acid, Octylic acid, n-caprylic acid, octoic acid, n-octanoic acid, n-octylic acid, Enantic acid, capryloate, neo-fat 8, octanoate, Octic acid, 0ctanoic acid, Caprylsaeure, n-Octoic acid, Kaprylsaeure, Octansaeure, C-8 acid, 1-heptanecarboxylic acid, Sodium caprylate

Molecular Formula:	C₈H₁₆O₂	Molecular Weight:	144.211440 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WWZKQHOCKIZLMA-UHFFFAOYSA-N

• Oxyberberine

Synonyms: Berlambine, Ketoberberine, 8-Oxyberberine, Oxyberberin, Prestwick_92, Ambap6135, NSC93138, NSC 93138, CID11066, BRN 0339209, LS-43479, 4-27-00-06654 (Beilstein Handbook Reference), 8-BERBINONE, 13,13a-DIDEHYDRO-9,10-DIMETHOXY-2,3-(METHYLENEDIOXY)-, 9,10-Dimethoxy-2,3-(methylenedioxy)-13,13a-didehydro-8-berbinone

Molecular Formula:	C₂₀H₁₇NO₅	Molecular Weight:	351.352680 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	5

InChIKey: ZHYQCBCBTQWPLC-UHFFFAOYSA-N

• p-Anisic acid

IUPAC Name: 4-methoxybenzoic acid | CAS Registry Number: 100-09-4
Synonyms: Draconic acid, 4-Anisic acid, 4-METHOXYBENZOIC ACID, p-Methoxybenzoic acid, ANISIC ACID, Benzoic acid, 4-methoxy-, 4-Methoxybenzoate, Methoxybenzoic acid, Anisic acid, p-isomer, ANISIC ACID, PARA, 1sv3, P-Methoxy Benzoic Acid, NCIOpen2_004706, W394505_ALDRICH, 117390_ALDRICH, Kyselina 4-methoxybenzoova [Czech], 10550_FLUKA, 84688_FLUKA, CHEBI:40813, EINECS 202-818-5

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: ZEYHEAKUIGZSGI-UHFFFAOYSA-N

• p-Methoxybenzyl Acetone

IUPAC Name: 4-(4-methoxyphenyl)butan-2-one | CAS Registry Number: 104-20-1
Synonyms: Anisylacetone, Methyl oxanone, Anisylacetone, p-, 4-Methoxybenzylacetone, p-Methoxyphenylbutanone, p-Methoxybenzylacetone, Methoxybenzylacetone, p-, 4-(4-Methoxyphenyl)-2-butanone, Raspberry ketone methyl ether, Rasberry ketone methyl ether, 2-Butanone, 4-(p-methoxyphenyl)-, 4-(p-Methoxyphenyl)-2-butanone, FEMA No. 2672, 1-(4-Methoxyphenyl)-3-butanone, 1-(p-Methoxyphenyl)-3-butanone-, M19600_ALDRICH, W267201_ALDRICH, 4-(4-Methoxyphenyl)butan-2-one, 2-BUTANONE, 4-(4-METHOXYPHENYL)-, ENT 20,279

Molecular Formula:	C₁₁H₁₄O₂	Molecular Weight:	178.227660 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: PCBSXBYCASFXTM-UHFFFAOYSA-N

• Para Butanediol

IUPAC Name: butane-1,4-diol | CAS Registry Number: 110-63-4
Synonyms: 1,4-BUTANEDIOL, butanediol, Butane-1,4-diol, Sucol B, Tetramethylene glycol, Polymeg, Agrisynth B1D, 1,4-Butylene glycol, 1,4-Dihydroxybutane, DIOL 14B, Poly THF, Poly(tetrahydrofuran), 1,4-Tetramethylene glycol, Tetramethylene 1,4-diol, Poly(1,4-butanediol), WLN: Q4Q, CCRIS 5984, HSDB 1112, MLS001061198, Polytetramethylene ether glycol

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

InChIKey: WERYXYBDKMZEQL-UHFFFAOYSA-N

• POM

IUPAC Name: benzo[a]pyrene | CAS Registry Number: 50-32-8
Synonyms: benzo[a]pyrene, 3,4-Benzopyrene, Benzpyrene, 3,4-Benzpyrene, Benz[a]pyrene, 6,7-Benzopyrene, BENZO(A)PYRENE, Benz(a)pyrene, 1,2-Benzpyrene, 4,5-Benzpyrene, benzo[pqr]tetraphene, benzo[def]chrysene, Benzo(def)chrysene, 3,4-benzylpyrene, Benzo[d,e,f]chrysene, 3,4-Benz[a]pyrene, B[a]p, 3,4 Benzopyrene, 3,4-Benzopirene, 3,4-Benzypyrene

Molecular Formula:	C₂₀H₁₂	Molecular Weight:	252.309280 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N

• Raubasine

Synonyms: Ajmalicine, Hydrosarpan, Ajmalicin, Circolene, Raubaserp, Raubasil, Raubasin, Raumalina, Rauvasan, Vinceine, Lamuran, Ranitol, Vincain, Vincein, Sarpan, Tensyl, delta-Yohimbine, akuammigine, Alkaloid C, Alkaloid F

Molecular Formula:	C₂₁H₂₄N₂O₃	Molecular Weight:	352.426860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: GRTOGORTSDXSFK-XJTZBENFSA-N

• Ribitol

IUPAC Name: (2S,4R)-pentane-1,2,3,4,5-pentol | CAS Registry Number: 488-81-3
Synonyms: adonitol, xylitol, Xylite, ribitol, Pentitol, Adonite, Xyliton, Adonit, Eutrit, Kannit, Klinit, Newtol, D-Xylitol, D-ribitol, meso-ribitol, meso-xylitol, Xylit, Xylite (sugar), L-arabitol, D-Adonitol

Molecular Formula:	C₅H₁₂O₅	Molecular Weight:	152.145780 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	5

InChIKey: HEBKCHPVOIAQTA-NGQZWQHPSA-N

• S-Acetylthiocholine Iodide

IUPAC Name: 2-acetylsulfanylethyl(trimethyl)azanium iodide | CAS Registry Number: 1866-15-5
Synonyms: Acetylthiocholine iodide, S-Acetylthiocholine iodide, Acetylthiocholinjodid, Acetylthiocholine diiodide, Choline, S-acetylthio-, iodide, Acetyl Thiobilineurine Iodide, A5751_SIGMA, 01480_FLUKA, EINECS 217-474-1, 2-Acetylthioethyltrimethylammonium iodide, NSC 44139, CID74629, NSC44139, WLN: 1VS2K1&1&1 &I, 2-(Acetylthio)-N,N,N-trimethylethanaminium iodide, LS-53171, (2-Mercaptoethyl)trimethylammonium iodide acetate, Ammonium, (2-mercaptoethyl)trimethyl-, iodide acetate, LT03328303, ((2-Mercaptoethyl)trimethylammonium iodide acetate)

Molecular Formula:	C₇H₁₆INOS	Molecular Weight:	289.177510 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: NTBLZMAMTZXLBP-UHFFFAOYSA-M

• SAMe tylosate

IUPAC Name: (3-amino-3-carboxypropyl)-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-methylsulfanium;4-methylbenzenesulfonate | CAS Registry Number: 86562-85-8
Synonyms: CTK8G3039, 5'[(3-Amino-3-Carboxypropyl)methylsulfonio]-5'deoxyadenosine sulfate-p-toluenesulfonate, AG-J-66730, 485-80-3, S-Adenosyl-L-methionine sulfate p-toluene sulfonate salt

Molecular Formula:	C₂₂H₃₀N₆O₈S₂	Molecular Weight:	570.639000 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	13

InChIKey: VHPOFDUCFKOUHV-UHFFFAOYSA-N

• Sissotrin

IUPAC Name: 5-hydroxy-3-(4-methoxyphenyl)-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one | CAS Registry Number: 5928-26-7
Synonyms: biochanin A-7-O-glucoside, biochanin A 7-O-beta-D-glucoside, CPD-4563

Molecular Formula:	C₂₂H₂₂O₁₀	Molecular Weight:	446.404080 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	10

InChIKey: LFEUICHQZGNOHD-SQGFOMTPSA-N

• Sodium benzoate

IUPAC Name: sodium benzoate | CAS Registry Number: 532-32-1
Synonyms: sodium benzoate, Sobenate, Antimol, Ucephan, Benzoate, sodium, Benzoate sodium, Natrium benzoicum, Benzoate of soda, Noname, Mixture Name, Benzoic acid, sodium salt, Caswell No. 746, Benzoan sodny [Czech], Sodium benzoate solution, FEMA Number 3025, Sodium benzoate (TN), Benzoic acid sodium salt, Sodium benzoate [USAN:JAN], C7H5O2.Na, FEMA No. 3025

Molecular Formula:	C₇H₅NaO₂	Molecular Weight:	144.103170 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: WXMKPNITSTVMEF-UHFFFAOYSA-M

• Stanolone

IUPAC Name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-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: 521-18-6
Synonyms: Androstanolone, Andractim, dihydrotestosterone, Anaboleen, Androlone, Stanaprol, Anabolex, Proteina, Protona, STANOLONE, Cristerona MB, Neodrol, Stanolon, Androstalone, Stanorone, 4-Dihydrotestosterone, Andrin, Stanolone [BAN], Dihydrotestosteron, 1kdk

Molecular Formula:	C₁₉H₃₀O₂	Molecular Weight:	290.440300 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: NVKAWKQGWWIWPM-ABEVXSGRSA-N