Exact Mass: 430.1562
Exact Mass Matches: 430.1562
Found 500 metabolites which its exact mass value is equals to given mass value 430.1562
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Stypandrol
Sesartemin
Isolated from roots of Artemisia absinthium (wormwood). Diasesartemin is found in alcoholic beverages and herbs and spices. Diasesartemin is found in alcoholic beverages. Diasesartemin is isolated from roots of Artemisia absinthium (wormwood).
Avizafone
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
Phenethyl rutinoside
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.
Cubebinone
Cubebinone is found in herbs and spices. Cubebinone is a constituent of Piper cubeba (cubeb pepper). Constituent of Piper cubeba (cubeb pepper). Cubebinone is found in herbs and spices.
8-Acetoxy-4'-methoxypinoresinol
Constituent of Olea europaea (olive). 8-Acetoxy-4-methoxypinoresinol is found in many foods, some of which are olive, herbs and spices, pomes, and fats and oils. 8-Acetoxy-4-methoxypinoresinol is found in fats and oils. 8-Acetoxy-4-methoxypinoresinol is a constituent of Olea europaea (olive).
Fostriecin
(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].
Diethyl 6-methoxy-5,7-dihydroindolo[2,3-b]carbazole-2,10-dicarboxylate
beta-Phenylethanol beta-D-rutinoside
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.
β-acetoxyisovalerylalkannin
Butanoic acid, 3-(acetyloxy)-3-methyl-, 1-(1,4-dihydro-5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-methyl-3-pentenyl ester, (S)- is a natural product found in Alkanna tinctoria with data available. Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2]. Beta-Acetoxyisovalerylshikonin is a naphthoquinone derivative isolated from Arnebia euchroma[1][2].
[1S-(1alpha,4aalpha,7aalpha)]-7-[(acetyloxy)methyl]-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylic acid
3,7-Dihydroxy-2-[3-(4-hydroxy-3-methylbutyl)-4-methoxyphenyl]-5,6-dimethoxy-4H-1-benzopyran-4-one
4-Hydroxyacetophenone 4-O-(6-O-beta-D-apiofuranosyl)-beta-D-glucopyranoside
fostriecin
A structurally unique, naturally-occurring phosphate monoester isolated from the soil bacterium Streptomyces pulveraceus. It inhibits DNA topoisomerase II as well as several protein phosphatase including PP2A and PPA4, and exhibits potent antitumor activity against several cancer cell lines.
Aliarin 4-methyl ether
5a-Hydroxy-2-isopropyl-4-(4-oxo-3(4H)-quinazolinyl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione
1,5-Anhydro-2-O-(6-O-benzoyl-α-L-galactopyranosyl)-D-glucitol
8-O-(2,6-Diacetyl-beta-D-glucopyranoside)-(2E,4xi)-4,8-Dihydroxy-2-methyl-6-methylene-2-octenal
rel-(7S,8R,1S,5S,6S)-6-Acetoxy-3-hydroxy-3,5-dimethoxy-4,5-methylenedioxy-4-oxo-Delta-1,3,5,2,8-8.1,7.5-neolignan
dihydrocinnamyl alcohol 9-O-(6-O-alpha-L-arabinofuranosyl)-beta-D-glucopyranoside|junipercomnoside F
5-methoxy-8-(4-methoxy-6-oxo-6H-pyran-2-yl)-1,7-diphenyl-2-oxa-bicyclo[4.2.0]oct-4-en-3-one
1-(3-Methylbutanoyl),1-(3-methyl-2-butenoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
2-({6-O-[(4-hydroxy-3-methoxyphenyl)carbonyl]-beta-D-glucopyranosyl}oxy)-2-methylbutanoic acid
cynaropicrin-3-O-(4-hydroxymethacrylate)|cynaropicrin-3-O-<4-hydroxymethacrylate>
5-Senecioyloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene
1-(3-Methylbutanoyl),1-(2-methyl-2E-butenoyl)-4-[5-(Hydroxymethyl)-[2,2-bithiophen-5-yl]]-3-butyn-1-ol
Acetic acid 2,3-bis(3-methoxy-4-acetoxyphenyl)propyl ester
5,7-dihydroxy-3-(3-hydroxymethylbutyl)-3,6,4-trimethoxyflavone
3-O-benzoylpolygolitosyl-(2->1)-alpha-galactose|polygalatenoside B
2-phenylethyl 3-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
(1R,3S,5R,6R,7R,8S)-3-acetoxy-13,14,15-trimethylene-12-oxododecahydroazuleno[6,7-beta]furan-8-yl 17-(acetoxymethyl)acrylate|cynaropicrin B diacetate
methyl rel-(1R,2S,3S)-2-(7-methoxy-1,3-benzodioxol-5-yl)-3-(2,4,5-trimethoxyphenyl)cyclobutanecarboxylate
9-methoxy-7-methoxymethyl-10-alpha-L-rhamnopyranosyloxy-5H-dibenzo[a,c][7]annulen-3-ol|subavenoside F
7-beta-D-glucopyranosyloxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulen-10-ol|subavenoside A
[(3-hydroxy-3-methylglutaryl)methyl]phenyl-4-O-beta-D-glucopyranoside
10-beta-D-glucopyranosyloxy-7-hydroxymethyl-9-methoxy-5H-dibenzo[a,c][7]annulene|subavenoside D
Thiobiscephalosporolide A|thiobiscephalosporolide-A
beta-D-galactopyranosyl-(1->4)-3,6-anhydro-L-galactose diethyl dithioacetal|O4-beta-D-Galactopyranosyl-3,6-anhydro-L-galactose-diaethyldithioacetal|O4-beta-D-galactopyranosyl-3,6-anhydro-L-galactose-diethyldithioacetal
5-Tigloyloxymethylene-2-(4-isovaleryloxybut-3-ynyl)dithiophene
1D-tetra-O-acetyl-1,3-bis-acetylamino-1,3-dideoxy-allo-inositol|Hexacetylstreptamin
1L-myo-inositol 1alpha,2alpha-diacetyl 3alpha-angaloyl 4beta-methylbutyryl 1(equatorial),5alpha,6beta
Demecycline
C784 - Protein Synthesis Inhibitor > C1595 - Tetracycline Antibiotic C254 - Anti-Infective Agent > C258 - Antibiotic
acetophenone-2-O-[beta-D-apiofuranosyl-1->6-O-beta-D-glucopyranoside]
O2-Me-5a,6-Dihydro-3-(1H-indol-3-yl)-1,4-dimethoxy-10bH-benzofuro[2,3-b]indole-2,10b-diol
(3Z)-hexenyl-O-beta-D-tetraacetylglucopyranoside|(Z)-3-hexenyl-(tetra-O-acetyl)-beta-D-glucopyranoside
2-<(2H-1,3-Benzodioxol-5-yl)methyl>-3-<(3,4-dimethoxyphenyl)methyl>bernsteinsaeuredimethylester
2,3-dinor Fluprostenol
Regaloside F
Regaloside F is a natural product found in Lilium auratum and Lilium mackliniae with data available.
C19H26O11_Ethanone, 1-[4-[(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)oxy]phenyl]
C19H26O11_1,5-Anhydro-2-O-(6-O-benzoyl-alpha-D-galactopyranosyl)-D-glucitol
C19H26O11_5-{[4-(beta-D-Glucopyranosyloxy)benzyl]oxy}-3-hydroxy-3-methyl-5-oxopentanoic acid
C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate_8.5\\%
[(2R,3R,4S,5R,6S)-6-[(3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl benzoate_major
Ala Cys His Thr
Ala Cys Thr His
Ala Asp Glu Pro
Ala Asp Pro Glu
Ala Glu Asp Pro
Ala Glu Pro Asp
Ala His Cys Thr
Ala His Thr Cys
Ala Pro Asp Glu
Ala Pro Glu Asp
Ala Thr Cys His
Ala Thr His Cys
Cys Ala His Thr
Cys Ala Thr His
Cys Asp Pro Pro
Cys His Ala Thr
Cys His Thr Ala
Cys Pro Asp Pro
Cys Pro Pro Asp
Cys Thr Ala His
Cys Thr His Ala
Asp Ala Glu Pro
Asp Ala Pro Glu
Asp Cys Pro Pro
Asp Glu Ala Pro
Asp Glu Pro Ala
Asp Pro Ala Glu
Asp Pro Cys Pro
Asp Pro Glu Ala
Asp Pro Pro Cys
Glu Ala Asp Pro
Glu Ala Pro Asp
Glu Asp Ala Pro
Glu Asp Pro Ala
Glu Glu Gly Pro
Glu Glu Pro Gly
Glu Gly Glu Pro
Glu Gly Pro Glu
Glu Pro Ala Asp
Glu Pro Asp Ala
Glu Pro Glu Gly
Glu Pro Gly Glu
Gly Glu Glu Pro
Gly Glu Pro Glu
Gly His Met Ser
Gly His Ser Met
Gly Met His Ser
Gly Met Ser His
Gly Pro Glu Glu
Gly Ser His Met
Gly Ser Met His
His Ala Cys Thr
His Ala Thr Cys
His Cys Ala Thr
His Cys Thr Ala
His Gly Met Ser
His Gly Ser Met
His Met Gly Ser
His Met Ser Gly
His Ser Gly Met
His Ser Met Gly
His Ser Ser Thr
His Ser Thr Ser
His Thr Ala Cys
His Thr Cys Ala
His Thr Ser Ser
Met Gly His Ser
Met Gly Ser His
Met His Gly Ser
Met His Ser Gly
Met Ser Gly His
Met Ser His Gly
Asn Asn Pro Ser
Asn Asn Ser Pro
Asn Pro Asn Ser
Asn Pro Ser Asn
Asn Ser Asn Pro
Asn Ser Pro Asn
Pro Ala Asp Glu
Pro Ala Glu Asp
Pro Cys Asp Pro
Pro Cys Pro Asp
Pro Asp Ala Glu
Pro Asp Cys Pro
Pro Asp Glu Ala
Pro Asp Pro Cys
Pro Glu Ala Asp
Pro Glu Asp Ala
Pro Glu Glu Gly
Pro Glu Gly Glu
Pro Gly Glu Glu
Pro Asn Asn Ser
Pro Asn Ser Asn
Pro Pro Cys Asp
Pro Pro Asp Cys
Pro Ser Asn Asn
Ser Gly His Met
Ser Gly Met His
Ser His Gly Met
Ser His Met Gly
Ser His Ser Thr
Ser His Thr Ser
Ser Met Gly His
Ser Met His Gly
Ser Asn Asn Pro
Ser Asn Pro Asn
Ser Pro Asn Asn
Ser Ser His Thr
Ser Ser Thr His
Ser Thr His Ser
Ser Thr Ser His
Thr Ala Cys His
Thr Ala His Cys
Thr Cys Ala His
Thr Cys His Ala
Thr His Ala Cys
Thr His Cys Ala
Thr His Ser Ser
Thr Ser His Ser
Thr Ser Ser His
Cetyl glycol
Cubebinone
8-Acetoxy-4'-methoxypinoresinol
6-iodo-8Z,11Z,14Z-eicosatrien-5-olide
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
2-[(Azidoacetyl)amino]-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate
Hexasiloxane, 1,1,3,3,5,5,7,7,9,9,11,11-dodecamethyl-
4-Piperidinecarboxamide,4-(4-chlorophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-N,N-dimethyl-
6-fluoro-1-(4-fluorophenyl)-7-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-1,8-naphthyridine-3-carboxylic acid
5-TAMRA
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines
butane-1,4-diol,dimethyl benzene-1,4-dicarboxylate,hexanedioic acid
Coumarin 545T
3-(S)-(+)-(1-Carbamoyl-1,1-diphenylmethyl)pyrroloidine-L-(+)-tartarate
3,5-Dichloro-N-({1-[(2,2-dimethyltetrahydro-2H-pyran-4-yl)methyl] -4-fluoro-4-piperidinyl}methyl)benzamide
2-[[4-[ethyl(2-hydroxyethyl)amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium acetate
ethyl 1-cyclopropyl-6-fluoro-7-((4-isopropylthiazol-2-yl)methoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate
LY310762
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
2-ethoxy-1-{[2-(N-hydroxycarbamimidoyl)biphenyl-4-yl]methyl}-1H-benzimidazole-7-carboxylic acid
2-Methoxy-5-[2-[[2-(2-methoxyphenoxy)ethyl]amino]propyl]benzenesulfonamide monohydrochloride
Phenyl 6-deoxy-2-O-(phenylmethyl)-1-thio-L-galactopyranoside diacetate
6-O-[4,6-O-[(R)-Phenylmethylene]-alpha-D-glucopyranosyl]-D-glucose
(S)-3,5-DICHLORO-N-((1-((2,2-DIMETHYLTETRAHYDRO-2H-PYRAN-4-YL)METHYL)-4-FLUOROPIPERIDIN-4-YL)METHYL)BENZAMIDE
trimethyl-[1-(2-trimethylsilyloxynaphthalen-1-yl)naphthalen-2-yl]oxysilane
Roniciclib (Synonyms: BAY 1000394)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C2185 - Cyclin-Dependent Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent
Pentizidone sodium
C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
Episesartemin A
Isolated from roots of Artemisia absinthium (wormwood). Episesartemin A is found in alcoholic beverages and herbs and spices.
3-Methoxy-4-(2-methoxy-3-methoxycarbonyl-1-naphthalenyl)-2-naphthalenecarboxylic acid methyl ester
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
(3z)-1-[(6-Fluoro-4h-1,3-Benzodioxin-8-Yl)methyl]-4-[(E)-2-Phenylethenyl]-1h-Indole-2,3-Dione 3-Oxime
1-[4-[3,4,5-Trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyphenyl]ethanone
[(1E,7E,9E,11E)-3,6,13-trihydroxy-3-methyl-1-(6-oxo-2,3-dihydropyran-2-yl)trideca-1,7,9,11-tetraen-4-yl] dihydrogen phosphate
Asn-Asn-Pro-Ser
A tetrapeptide composed of two L-asparagine units, L-proline and L-serine joined in sequence by peptide linkages.
3-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one
N,N-diethyl-3-[5-(ethylthio)-4-(phenylmethyl)-1,2,4-triazol-3-yl]benzenesulfonamide
N-[4-[[2-(4-hydroxyphenyl)-1,3-dioxo-5-isoindolyl]oxy]phenyl]-2,2-dimethylpropanamide
2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[2-(2-ethoxyphenoxy)-1-oxoethyl]acetohydrazide
Ethyl 4-[[3-(2-fluorophenyl)-1-methylthieno[2,3-c]pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
N-[5-[2-(3-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
N-[5-[2-(2-methoxyanilino)-4-thiazolyl]-4-methyl-2-thiazolyl]heptanamide
2-[(2-chloro-1-oxoethyl)-(2,2-dimethoxyethyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
7-Formyl-12,14-dimethyl-17-oxo-4-(prop-1-en-2-yl)-11,16,18,19-tetraoxapentacyclo[12.2.2.1~6,9~.0~1,15~.0~10,12~]nonadeca-6,8-dien-2-yl acetate
(1S,2R)-2-[[4-[(2,4-dimethylphenyl)sulfamoyl]anilino]-oxomethyl]-1-cyclohexanecarboxylic acid
2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-(3,4-Dichlorophenyl)-2-[2-imino-3-[2-(1-piperidinyl)ethyl]-1-benzimidazolyl]ethanone
2-[(2S,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
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,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-[(1S,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1R,2aS,8bS)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
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
1,5-anhydro-2-O-(6-O-benzoyl-alpha-L-galactopyranosyl)-D-glucitol
2-[(2S,3R,6S)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)acetamide
2-[(2R,3S,6R)-3-(ethylsulfonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]-N-(4-phenylphenyl)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,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,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
1-[(1R,2aR,8bR)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
1-[(1S,2aS,8bS)-4-(2-fluorophenyl)sulfonyl-1-(hydroxymethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-cyclopropylethanone
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
2-[(3S,6aR,8R,10aR)-1-[(3,4-dichlorophenyl)methyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-ethylacetamide
(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
2-Chloro-4-[[7-methoxy-6-[3-[methyl(propyl)amino]propoxy]quinazolin-4-yl]amino]phenol
(2R)-3-hydroxy-2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropanoic acid
(2R,3R,4R)-4-[(2S,3R,4R,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-2,3,5-trihydroxypentanoic acid
2-O-[alpha-D-mannosyl-(1->2)-alpha-D-glucosyl]-D-glyceric acid
A glycoside consisting of D-glyceric acid having an alpha-D-mannosyl-(1->2)-alpha-D-glucosyl residue attached at position 2 via a glycosidic linkage.
BisMePA(15:4)
Provides by LipidSearch Vendor. © Copyright 2006-2024 Thermo Fisher Scientific Inc. All rights reserved
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].
methyl 18-(acetyloxy)-4-methyl-8-oxo-12-(prop-1-en-2-yl)-3,7,17-trioxatetracyclo[12.2.1.1⁶,⁹.0²,⁴]octadeca-1(16),9,14-triene-15-carboxylate
methyl (5r,6r,7r)-7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxole-6-carboxylate
4-hydroxy-5-[(4-hydroxy-10-methyl-2,7-dioxooxecan-5-yl)sulfanyl]-10-methyloxecane-2,7-dione
(1s,9r)-5-(1h-indol-3-yl)-3,4,6-trimethoxy-8-oxa-10-azatetracyclo[7.7.0.0²,⁷.0¹¹,¹⁶]hexadeca-2(7),3,5,11,13,15-hexaen-1-ol
(1r,10s,13r,15r)-1-hydroxy-10-isopropyl-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.0²,⁷.0¹¹,¹⁵]pentadeca-2,4,6-triene-9,12-dione
6-[(1s,3s,4r,5s)-4,5-dimethyl-3-(3,4,5-trimethoxyphenyl)-2,6-dioxabicyclo[3.1.0]hexan-1-yl]-4-methoxy-2h-1,3-benzodioxole
3-[1-(acetyloxy)-3-methylbutyl]-6-(2-formyl-6-hydroxy-4-methylphenoxy)-2-methoxybenzoic acid
methyl 2'-(acetyloxy)-5-(furan-3-yl)-6'-methyl-2-oxo-3'-oxaspiro[oxolane-3,7'-tricyclo[6.3.1.0⁴,¹²]dodecan]-8'(12')-ene-1'-carboxylate
(2r,3r,4s,5s)-4-hydroxy-2-(hydroxymethyl)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl benzoate
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
(2r,3r,4s,5s)-3-hydroxy-2-(hydroxymethyl)-5-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-4-yl benzoate
1-(4-{[(2s,3r,4s,5s,6r)-6-({[(2r,3s,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}phenyl)ethanone
(3ar,4s,6ar,8s,9ar,9br)-8-(acetyloxy)-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-4-yl 2-[(acetyloxy)methyl]prop-2-enoate
(2s)-2,3-bis[4-(acetyloxy)-3-methoxyphenyl]propyl 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
(2r,3r,4s,5s,6r)-2-({4-hydroxy-5-methoxytricyclo[9.4.0.0²,⁷]pentadeca-1(15),2(7),3,5,8,11,13-heptaen-8-yl}methoxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(1s,2r,3r,4s,5s,6r)-2,3-bis(acetyloxy)-4,5-dihydroxy-6-[(3-methylbutanoyl)oxy]cyclohexyl (2z)-2-methylbut-2-enoate
(2s)-2-hydroxy-3-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl (2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1-{4-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl)oxy]phenyl}ethanone
3-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-[(3,4,5-trimethoxyphenyl)methyl]oxolan-2-one
(3s,5r,6s,7s,8r,10r,12s)-5-(hydroxymethyl)-15,17-dimethyl-12-phenyl-2,4,9,13-tetraoxatetracyclo[8.7.1.0³,⁸.0¹⁴,¹⁸]octadeca-1(17),14(18),15-triene-6,7,16-triol
2-{[(2r,3r,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3-hydroxypropanoic acid
4-methoxy-6-[(1s,4s)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2h-1,3-benzodioxole
3-hydroxy-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}propyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
1-(4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}phenyl)ethanone
6-[(1r,3ar,4r,6ar)-4-(3,4,5-trimethoxyphenyl)-hexahydrofuro[3,4-c]furan-1-yl]-4-methoxy-2h-1,3-benzodioxole
10-o-acetylgeniposide
{"Ingredient_id": "HBIN000177","Ingredient_name": "10-o-acetylgeniposide","Alias": "10-O-Acetylgeniposide; AC1O44LE; CHEMBL1078435; 10-Acetylgenipiside; methyl (1S,4aS,7aS)-7-(acetyloxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate","Ingredient_formula": "C19H26O11","Ingredient_Smile": "CC(=O)OCC1=CCC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O","Ingredient_weight": "430.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14139","TCMID_id": "397","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "6324916","DrugBank_id": "NA"}
(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-β-d-(3-o-potassium sulfo)-glucopyrano-side
{"Ingredient_id": "HBIN009684","Ingredient_name": "(3s,6r)-6,7-dihydroxy-6,7-dihydrolinalool-3-o-\u03b2-d-(3-o-potassium sulfo)-glucopyrano-side","Alias": "NA","Ingredient_formula": "C16H30O11S","Ingredient_Smile": "CC(C)(C(CCC(C)(C=C)OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "5896","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxyacetophenone 4-o-(6-o-β-d-apio-furanosyl)-β-d-glucopyranoside
{"Ingredient_id": "HBIN010503","Ingredient_name": "4-hydroxyacetophenone 4-o-(6-o-\u03b2-d-apio-furanosyl)-\u03b2-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C19H26O11","Ingredient_Smile": "CC(=O)C1=CC=C(C=C1)OC2C(C(C(C(O2)COC3C(C(CO3)(CO)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "9749","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5-(3''-benzoyloxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)-benzofuran
{"Ingredient_id": "HBIN011004","Ingredient_name": "5-(3''-benzoyloxypropyl)-7-methoxy-2-(3',4'-methylenedioxyphenyl)-benzofuran","Alias": "NA","Ingredient_formula": "C26H22O6","Ingredient_Smile": "COC1=C2C(=CC(=C1)CCCOC(=O)C3=CC=CC=C3)C=C(O2)C4=CC5=C(C=C4)OCO5","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2264","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
α-acetoxyisovalerylalkannin
{"Ingredient_id": "HBIN015330","Ingredient_name": "\u03b1-acetoxyisovalerylalkannin","Alias": "NA","Ingredient_formula": "C23H26O8","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14127","TCMID_id": "244","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
andrographolide-3-o-sulfate
{"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"}
beta-acetoxyisovalerylshikonin
{"Ingredient_id": "HBIN017951","Ingredient_name": "beta-acetoxyisovalerylshikonin","Alias": "NA","Ingredient_formula": "C23H26O8","Ingredient_Smile": "CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)CC(C)(C)OC(=O)C)C","Ingredient_weight": "430.4 g/mol","OB_score": "5.029629563","CAS_id": "NA","SymMap_id": "SMIT09117","TCMID_id": "NA","TCMSP_id": "MOL007738","TCM_ID_id": "NA","PubChem_id": "69295815","DrugBank_id": "NA"}