Exact Mass: 430.1753
Exact Mass Matches: 430.1753
Found 162 metabolites which its exact mass value is equals to given mass value 430.1753,
within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error
0.001 dalton.
Avizafone
(2S)-2,6-diamino-N-[2-(2-benzoyl-4-chloro-N-methylanilino)-2-oxoethyl]hexanamide
C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
2,2-Dimethyl-3,4-bis(4-methoxyphenyl)-2H-1-benzopyran-7-ol acetate
Phenethyl rutinoside
2-methyl-6-{[3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
Phenethyl rutinoside is found in citrus. Phenethyl rutinoside is isolated from Citrus unshiu (Satsuma mandarin Isolated from Citrus unshiu (Satsuma mandarin). Phenethyl rutinoside is found in citrus and pomegranate.
(3-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Ethyl-1h-Indol-5-Yl]oxy}propyl)phosphonic Acid
(3-{[3-(2-Amino-2-Oxoethyl)-1-Benzyl-2-Ethyl-1h-Indol-5-Yl]oxy}propyl)phosphonic Acid
LY-311727 is a potent secretory non-pancreatic phospholipase A2 (sPLA2) inhibitor (IC50 <1 μM for group IIA sPLA2). sPLA2 is an important proinflammatory enzyme[1][2].
beta-Phenylethanol beta-D-rutinoside
(2S,3R,4R,5R,6R)-2-methyl-6-{[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy}oxane-3,4,5-triol
Beta-phenylethanol beta-d-rutinoside is a member of the class of compounds known as O-glycosyl compounds. O-glycosyl compounds are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Beta-phenylethanol beta-d-rutinoside is soluble (in water) and a very weakly acidic compound (based on its pKa). Beta-phenylethanol beta-d-rutinoside can be found in common grape, which makes beta-phenylethanol beta-d-rutinoside a potential biomarker for the consumption of this food product.
8-O-(2,6-Diacetyl-beta-D-glucopyranoside)-(2E,4xi)-4,8-Dihydroxy-2-methyl-6-methylene-2-octenal
8-O-(2,6-Diacetyl-beta-D-glucopyranoside)-(2E,4xi)-4,8-Dihydroxy-2-methyl-6-methylene-2-octenal
dihydrocinnamyl alcohol 9-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside|junipercomnoside F
dihydrocinnamyl alcohol 9-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside|junipercomnoside F
2-phenylethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
2-phenylethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Thiobiscephalosporolide A|thiobiscephalosporolide-A
Thiobiscephalosporolide A|thiobiscephalosporolide-A
1L-myo-inositol 1alpha,2alpha-diacetyl 3alpha-angaloyl 4beta-methylbutyryl 1(equatorial),5alpha,6beta
1L-myo-inositol 1alpha,2alpha-diacetyl 3alpha-angaloyl 4beta-methylbutyryl 1(equatorial),5alpha,6beta
(3Z)-hexenyl-O-beta-D-tetraacetylglucopyranoside|(Z)-3-hexenyl-(tetra-O-acetyl)-beta-D-glucopyranoside
(3Z)-hexenyl-O-beta-D-tetraacetylglucopyranoside|(Z)-3-hexenyl-(tetra-O-acetyl)-beta-D-glucopyranoside
C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
NCGC00169796-02_C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Ala Asp Glu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Ala Asp Pro Glu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
Ala Glu Asp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Ala Glu Pro Asp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-aminopropanamido]-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
Ala Pro Asp Glu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-3-carboxypropanamido]pentanedioic acid
Ala Pro Glu Asp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-4-carboxybutanamido]butanedioic acid
Asp Ala Glu Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Asp Ala Pro Glu
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]propanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
Asp Glu Ala Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-carboxybutanamido]propanoyl]pyrrolidine-2-carboxylic acid
Asp Glu Pro Ala
(4S)-4-[(2S)-2-amino-3-carboxypropanamido]-5-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
Asp Pro Ala Glu
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}propanamido]pentanedioic acid
Asp Pro Glu Ala
(4S)-4-{[(2S)-1-[(2S)-2-amino-3-carboxypropanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
Glu Ala Asp Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanamido]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
Glu Ala Pro Asp
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]propanoyl]pyrrolidin-2-yl]formamido}butanedioic acid
Glu Asp Ala Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-3-carboxypropanamido]propanoyl]pyrrolidine-2-carboxylic acid
Glu Asp Pro Ala
(4S)-4-amino-4-{[(2S)-3-carboxy-1-[(2S)-2-{[(1S)-1-carboxyethyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}butanoic acid
Glu Glu Gly Pro
(2S)-1-{2-[(2S)-2-[(2S)-2-amino-4-carboxybutanamido]-4-carboxybutanamido]acetyl}pyrrolidine-2-carboxylic acid
Glu Glu Pro Gly
(4S)-4-[(2S)-2-amino-4-carboxybutanamido]-5-[(2S)-2-[(carboxymethyl)carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid
Glu Gly Glu Pro
(2S)-1-[(2S)-2-{2-[(2S)-2-amino-4-carboxybutanamido]acetamido}-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Glu Gly Pro Glu
(2S)-2-{[(2S)-1-{2-[(2S)-2-amino-4-carboxybutanamido]acetyl}pyrrolidin-2-yl]formamido}pentanedioic acid
Glu Pro Ala Asp
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}propanamido]butanedioic acid
Glu Pro Asp Ala
(4S)-4-amino-5-[(2S)-2-{[(1S)-2-carboxy-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
Glu Pro Glu Gly
(4S)-4-amino-5-[(2S)-2-{[(1S)-3-carboxy-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}pyrrolidin-1-yl]-5-oxopentanoic acid
Glu Pro Gly Glu
(2S)-2-(2-{[(2S)-1-[(2S)-2-amino-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}acetamido)pentanedioic acid
Gly Glu Glu Pro
(2S)-1-[(2S)-2-[(2S)-2-(2-aminoacetamido)-4-carboxybutanamido]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
Gly Glu Pro Glu
(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-4-carboxybutanoyl]pyrrolidin-2-yl]formamido}pentanedioic acid
Gly Pro Glu Glu
(2S)-2-[(2S)-2-{[(2S)-1-(2-aminoacetyl)pyrrolidin-2-yl]formamido}-4-carboxybutanamido]pentanedioic acid
His Ser Ser Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid
His Ser Thr Ser
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid
His Thr Ser Ser
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid
Asn Asn Pro Ser
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanoic acid
Asn Asn Ser Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-carbamoylpropanamido]-3-hydroxypropanoyl]pyrrolidine-2-carboxylic acid
Asn Pro Asn Ser
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-hydroxypropanoic acid
Asn Pro Ser Asn
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-hydroxypropanamido]-3-carbamoylpropanoic acid
Asn Ser Asn Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid
Asn Ser Pro Asn
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid
Pro Ala Asp Glu
(2S)-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanedioic acid
Pro Ala Glu Asp
(2S)-2-[(2S)-4-carboxy-2-[(2S)-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]butanamido]butanedioic acid
Pro Asp Ala Glu
(2S)-2-[(2S)-2-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]pentanedioic acid
Pro Asp Glu Ala
(4S)-4-[(2S)-3-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-4-{[(1S)-1-carboxyethyl]carbamoyl}butanoic acid
Pro Glu Ala Asp
(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]propanamido]butanedioic acid
Pro Glu Asp Ala
(4S)-4-{[(1S)-2-carboxy-1-{[(1S)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid
Pro Glu Glu Gly
(4S)-4-{[(1S)-3-carboxy-1-[(carboxymethyl)carbamoyl]propyl]carbamoyl}-4-[(2S)-pyrrolidin-2-ylformamido]butanoic acid
Pro Glu Gly Glu
(2S)-2-{2-[(2S)-4-carboxy-2-[(2S)-pyrrolidin-2-ylformamido]butanamido]acetamido}pentanedioic acid
Pro Gly Glu Glu
(2S)-2-[(2S)-4-carboxy-2-{2-[(2S)-pyrrolidin-2-ylformamido]acetamido}butanamido]pentanedioic acid
Pro Asn Asn Ser
(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]-3-hydroxypropanoic acid
Pro Asn Ser Asn
(2S)-3-carbamoyl-2-[(2S)-2-[(2S)-3-carbamoyl-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]-3-hydroxypropanamido]propanoic acid
Pro Ser Asn Asn
(2S)-3-carbamoyl-2-[(2S)-3-carbamoyl-2-[(2S)-3-hydroxy-2-[(2S)-pyrrolidin-2-ylformamido]propanamido]propanamido]propanoic acid
Ser His Ser Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid
Ser His Thr Ser
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid
Ser Asn Asn Pro
(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-carbamoylpropanoyl]pyrrolidine-2-carboxylic acid
Ser Asn Pro Asn
(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanoic acid
Ser Pro Asn Asn
(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-amino-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-3-carbamoylpropanamido]-3-carbamoylpropanoic acid
Ser Ser His Thr
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxybutanoic acid
Ser Ser Thr His
(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanoic acid
Ser Thr His Ser
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid
Ser Thr Ser His
(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Thr His Ser Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid
Thr Ser His Ser
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-3-hydroxypropanoic acid
Thr Ser Ser His
(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-(1H-imidazol-4-yl)propanoic acid
Cetyl glycol
2-(2-phenylethoxy)-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxane-3,4,5-triol
4-(4-dimethylaminophenyl)-3-methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyridine-5(1H)-one
4-(4-dimethylaminophenyl)-3-methyl-1-phenylindeno[2,1-e]pyrazolo[3,4-b]pyridine-5(1H)-one
nalpha-(tert-butoxycarbonyl)-l-arginine 4-nitroanilide hydrochloride
nalpha-(tert-butoxycarbonyl)-l-arginine 4-nitroanilide hydrochloride
4-Piperidinecarboxamide,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethyl-
4-Piperidinecarboxamide,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethyl-
butane-1,4-diol,dimethyl benzene-1,4-dicarboxylate,hexanedioic acid
butane-1,4-diol,dimethyl benzene-1,4-dicarboxylate,hexanedioic acid
Coumarin 545T
10-(2-BENZOTHIAZOLYL)-2,3,6,7-TETRAHYDRO-1,1,7,7-TETRAMETHYL-1H,5H,11H-(1)BENZOPYROPYRANO(6,7-8-I,J)QUINOLIZIN-11-ONE
3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-L-(+)-tartarate
3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-L-(+)-tartarate
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
LY310762
1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
LY310762 is a selective 5-HT1D receptor antagonist (Ki=249 nM) with a weak affinity for 5-HT1B receptor. LY310762 effectively abolishes the renal vasodilatory effects of 5-HTSumatriptan (HY-B0121B)-induced decrease in excitatory postsynaptic potential (EPSC) amplitude[1][2][3].
(2S,5R)-5-[(benzyloxy)amino]piperidine -2-carboxylic acid benzyl ester ethanedioate
(2S,5R)-5-[(benzyloxy)amino]piperidine -2-carboxylic acid benzyl ester ethanedioate
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinone
6-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3-(4-ethoxyphenyl)-7-triazolo[4,5-d]pyrimidinone
N-(2-Methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL]pyrimidin-2-YL}amino)benzenesulfonamide
N-(2-Methoxyethyl)-4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-YL]pyrimidin-2-YL}amino)benzenesulfonamide
Asn-Asn-Pro-Ser
Asn-Asn-Pro-Ser
A tetrapeptide composed of two L-asparagine units, L-proline and L-serine joined in sequence by peptide linkages.
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3S,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
1-[(1S,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1S,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1R,3R,4aS,9aR)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3S,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
2-[(1S,3R,4aR,9aS)-6-(dimethylamino)-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-[(4-chlorophenyl)methyl]acetamide
1-[(1R,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aR,8bR)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
1-[(1R,2aS,8bS)-2-[(3-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-4-yl]-2-phenylethanone
(1S,5R)-3-(2-methylphenyl)sulfonyl-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
(1S,5R)-3-(2-methylphenyl)sulfonyl-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptane
N-[(Z)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
N-[(Z)-3-[(2E)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1-[(4-methylpyrimidin-2-yl)amino]-3-oxoprop-1-en-2-yl]benzamide
2-Chloro-4-[[7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-yl]amino]phenol
2-Chloro-4-[[7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-yl]amino]phenol
BisMePA(15:4)
BisMePA(4:0_11:4)
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ALDH1A2-IN-1
ALDH1A2-IN-1
ALDH1A2-IN-1 is an active site-directed reversible ALDH1A2 inhibitor (IC50=0.91 μM; Kd=0.26 μM) with several hydrophobic interactions[1].
4-hydroxy-5-[(4-hydroxy-10-methyl-2,7-dioxooxecan-5-yl)sulfanyl]-10-methyloxecane-2,7-dione
4-hydroxy-5-[(4-hydroxy-10-methyl-2,7-dioxooxecan-5-yl)sulfanyl]-10-methyloxecane-2,7-dione
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
2-{[3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
[5-(acetyloxy)-3,4-dihydroxy-6-[(5-hydroxy-7-methyl-3-methylidene-8-oxooct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
[5-(acetyloxy)-3,4-dihydroxy-6-[(5-hydroxy-7-methyl-3-methylidene-8-oxooct-6-en-1-yl)oxy]oxan-2-yl]methyl acetate
(1s,2r,6s,7r,9r)-9-hydroxy-4,6-bis(4-hydroxyphenyl)-11-isopropyl-9-methyltricyclo[5.2.2.0²,⁶]undeca-4,10-diene-3,8-dione
(1s,2r,6s,7r,9r)-9-hydroxy-4,6-bis(4-hydroxyphenyl)-11-isopropyl-9-methyltricyclo[5.2.2.0²,⁶]undeca-4,10-diene-3,8-dione
(1s,2r,3r,4s,5s,6r)-2,3-bis(acetyloxy)-4,5-dihydroxy-6-[(3-methylbutanoyl)oxy]cyclohexyl (2z)-2-methylbut-2-enoate
(1s,2r,3r,4s,5s,6r)-2,3-bis(acetyloxy)-4,5-dihydroxy-6-[(3-methylbutanoyl)oxy]cyclohexyl (2z)-2-methylbut-2-enoate
andrographolide-3-o-sulfate
NA
{"Ingredient_id": "HBIN016022","Ingredient_name": "andrographolide-3-o-sulfate","Alias": "NA","Ingredient_formula": "C20H30O8S","Ingredient_Smile": "CC12CCC(C(C1CCC(=C)C2CC=C3C(COC3=O)O)(C)CO)OS(=O)(=O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1160","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(1s,9r,15s,16s,17s,18r,21r)-15,17,18-trihydroxy-18-(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2-carboxylic acid
(1s,9r,15s,16s,17s,18r,21r)-15,17,18-trihydroxy-18-(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2-carboxylic acid
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-phenylpropoxy)oxane-3,4,5-triol
2-({[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-phenylpropoxy)oxane-3,4,5-triol
(2s)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-hydroxypropanoic acid
(2s)-2-({[(2s)-1-[(2s)-2-{[(2s)-2-amino-1-hydroxy-3-(c-hydroxycarbonimidoyl)propylidene]amino}-3-(c-hydroxycarbonimidoyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-3-hydroxypropanoic acid
(1'r,2r,3's,4r,4's,7's,8'r,9'r,10's,11's)-3',9',11'-trihydroxy-4-(1-hydroxyethyl)-8'-(2-hydroxypropan-2-yl)-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecane]-5,6'-dione
(1'r,2r,3's,4r,4's,7's,8'r,9'r,10's,11's)-3',9',11'-trihydroxy-4-(1-hydroxyethyl)-8'-(2-hydroxypropan-2-yl)-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecane]-5,6'-dione
(1'r,2s,3'r,4s,4'r,7's,8's,9'r,10's,11'r)-3',9',11'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-(2-hydroxypropan-2-yl)-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecane]-5,6'-dione
(1'r,2s,3'r,4s,4'r,7's,8's,9'r,10's,11'r)-3',9',11'-trihydroxy-4-[(1s)-1-hydroxyethyl]-8'-(2-hydroxypropan-2-yl)-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecane]-5,6'-dione
2,3-bis(acetyloxy)-4,5-dihydroxy-6-[(3-methylbutanoyl)oxy]cyclohexyl 2-methylbut-2-enoate
2,3-bis(acetyloxy)-4,5-dihydroxy-6-[(3-methylbutanoyl)oxy]cyclohexyl 2-methylbut-2-enoate
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
15,17,18-trihydroxy-18-(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2-carboxylic acid
15,17,18-trihydroxy-18-(methoxycarbonyl)-2,12-diazahexacyclo[14.2.2.1⁹,¹².0¹,⁹.0³,⁸.0¹⁶,²¹]henicosa-3,5,7-triene-2-carboxylic acid
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
(2s,3r,4r,5r,6s)-2-{[(2r,3r,4s,5r,6r)-3,5-dihydroxy-2-(hydroxymethyl)-6-(2-phenylethoxy)oxan-4-yl]oxy}-6-methyloxane-3,4,5-triol
9-hydroxy-4,6-bis(4-hydroxyphenyl)-11-isopropyl-9-methyltricyclo[5.2.2.0²,⁶]undeca-4,10-diene-3,8-dione
9-hydroxy-4,6-bis(4-hydroxyphenyl)-11-isopropyl-9-methyltricyclo[5.2.2.0²,⁶]undeca-4,10-diene-3,8-dione
[(2r,3s,4s,5r,6r)-5-(acetyloxy)-3,4-dihydroxy-6-{[(5r,6e)-5-hydroxy-7-methyl-3-methylidene-8-oxooct-6-en-1-yl]oxy}oxan-2-yl]methyl acetate
[(2r,3s,4s,5r,6r)-5-(acetyloxy)-3,4-dihydroxy-6-{[(5r,6e)-5-hydroxy-7-methyl-3-methylidene-8-oxooct-6-en-1-yl]oxy}oxan-2-yl]methyl acetate
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
2-{[4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-phenylpropoxy)oxane-3,4,5-triol
(2r,3s,4s,5r,6r)-2-({[(2r,3r,4r,5s)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-6-(3-phenylpropoxy)oxane-3,4,5-triol
(4s,5r,10r)-4-hydroxy-5-{[(4s,5r,10r)-4-hydroxy-10-methyl-2,7-dioxooxecan-5-yl]sulfanyl}-10-methyloxecane-2,7-dione
(4s,5r,10r)-4-hydroxy-5-{[(4s,5r,10r)-4-hydroxy-10-methyl-2,7-dioxooxecan-5-yl]sulfanyl}-10-methyloxecane-2,7-dione
3',9',11'-trihydroxy-4-(1-hydroxyethyl)-8'-(2-hydroxypropan-2-yl)-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecane]-5,6'-dione
3',9',11'-trihydroxy-4-(1-hydroxyethyl)-8'-(2-hydroxypropan-2-yl)-10'-methoxy-1'-methyl-5'-oxaspiro[oxolane-2,2'-tricyclo[5.3.1.0⁴,¹¹]undecane]-5,6'-dione
