Exact Mass: 311.06411380000003
Exact Mass Matches: 311.06411380000003
Found 261 metabolites which its exact mass value is equals to given mass value 311.06411380000003,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Taxiphyllin
(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available. Dhurrin is found in borage. Cyanogenic glucoside isolated from Sorghum vulgare (sorghum) Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide Cyanogenic glucoside of Macadamia ternifolia. Taxiphyllin is found in many foods, some of which are naranjilla, bayberry, celeriac, and red beetroot.
Icilin
D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents > D002120 - Calcium Channel Agonists D049990 - Membrane Transport Modulators > D062687 - Sodium Channel Agonists D000077264 - Calcium-Regulating Hormones and Agents
K-252c
D004791 - Enzyme Inhibitors
S-[(Z)-N-hydroxy-2-phenylethanimidoyl]-L-cysteinylglycine
C13H17N3O4S (311.09397220000005)
Citalopram propionic acid
C18H14FNO3 (311.09576660000005)
Citalopram propionic acid is a metabolite of citalopram. Citalopram is an antidepressant drug of the selective serotonin reuptake inhibitor (SSRI) class. It has U.S. Food and Drug Administration (FDA) approval to treat major depression, and is prescribed off-label for a number of anxiety conditions. (Wikipedia)
Dhurrin
Dhurrin is a cyanogenic glycoside occurring in plants. Its biosynthesis has been elucidated. Dhurrin is hydrolyzed in the stomach of an insect into a carbohydrate and aglycone. The aglycone is unstable and releases hydrogen cyanide. (Wikipedia) In biosynthesis of the cyanogenic glucoside dhurrin in Sorghum bicolor, the UDP-glucosyltransferase UGT85B1 catalyzes the conversion of p-hydroxymandelonitrile into dhurrin. (PMID: 16169969) In Sorghum, the cyanogenic glucoside dhurrin is derived from l-tyrosine in a pathway involving the two cytochromes P450 (CYPs) CYP79A1 and CYP71E1, a glucosyltransferase (UGT85B1), and the redox partner NADPH-dependent cytochrome P450 reductase (CPR). (PMID: 21620426) Synthesis of the tyrosine derived cyanogenic glucoside dhurrin in Sorghum bicolor is catalyzed by two multifunctional, membrane bound cytochromes P450, CYP79A1 and CYP71E1, and a soluble UDPG-glucosyltransferase, UGT85B1. In the presence of CYP79A1 and CYP71E1, the localization of UGT85B1 shifted towards the surface of the ER membrane in the periphery of biosynthetic active cells, demonstrating in planta dhurrin metabolon formation. (PMID: 17706731)
Aristolochic
Aristolochic acid B is an aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. It has a role as a carcinogenic agent, a metabolite, a mutagen, a nephrotoxin and a toxin. It is a C-nitro compound, a member of aristolochic acids, an aromatic ether, a cyclic acetal, a monocarboxylic acid and an organic heterotetracyclic compound. Aristolochic acid II is a natural product found in Aristolochia, Aristolochia macrophylla, and other organisms with data available. See also: Aristolochia fangchi root (part of). An aristolochic acid that is phenanthrene-1-carboxylic acid substituted by a methylenedioxy group at the 3,4 positions and by a nitro group at position 10. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].
4-Hydroxybenzyl isothiocyanate rhamnoside
C14H17NO5S (311.08273920000005)
4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. 4-Hydroxybenzyl isothiocyanate rhamnoside is a constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. Constituent of seeds and other parts of Moringa oleifera (horseradish tree), Moringa peregrina and Moringa stenopetala. 4-Hydroxybenzyl isothiocyanate rhamnoside is found in herbs and spices. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
Furoparadine
Furoparadine is found in citrus. Furoparadine is an alkaloid from roots of Citrus paradisi (grapefruit). Alkaloid from roots of Citrus paradisi (grapefruit). Furoparadine is found in citrus.
N-(1-Deoxy-1-fructosyl)methionine
C11H21NO7S (311.10386760000006)
Fructose aminoacids are naturally occurring compounds derived from D-fructose and L-aminoacids. They are amadori products resulting from sugar-aminoacid interactions in food products, especially cooked foods [CCD] N-(1-Deoxy-1-fructosyl)methionine is classified as a Natural Food Constituent (code WA) in the DFC.
3,5-Bis(2-fluorobenzylidene)-4-piperidone
C19H15F2NO (311.11216440000004)
(S)-5-[(4-Amino-4-carboxy-1-oxobutyl)amino]-2-nitrobenzoic acid
C12H13N3O7 (311.07534680000003)
Aristolochic acid B
Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].
4-(N,N-Dimethylsulfamoyl)-7-piperazino-benzofurazan
Etamicastat
Metamizol
C13H17N3O4S (311.09397220000005)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
6,7,12,13-Tetrahydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-5-one
D004791 - Enzyme Inhibitors
Zierin
Zierin is a member of the class of compounds known as cyanogenic glycosides. Cyanogenic glycosides are glycosides in which the aglycone moiety contains a cyanide group. Zierin is soluble (in water) and a very weakly acidic compound (based on its pKa). Zierin can be found in black elderberry, which makes zierin a potential biomarker for the consumption of this food product.
1-Methoxy-2,9-dihydroxy-3-(hydroxymethyl)dibenzo[cd,f]indole-4(5H)-one
Prothioconazole-desthio
CONFIDENCE standard compound; INTERNAL_ID 2581 CONFIDENCE standard compound; INTERNAL_ID 8437 CONFIDENCE standard compound; INTERNAL_ID 4061 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3176
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-4-(2-furyl)-6-(methylthio)pyrimidine-5-carbonitrile
C15H13N5OS (311.08407680000005)
3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
2-Methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
aristolochic acid B
Annotation level-1 Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1]. Aristolochic acid B is one of the major components of Aristolochic acids (AA) which are natural products derived from taxa in the Aristolochiaceae. Aristolochic acid is known to be a potent mutagen and carcinogen. Aristolochic acid B showes more carcinogenic risk than Aristolochic acid A in vivo[1].
(3,4-dihydroxyphenyl)acetonitrile 3-O-beta-D-glucopyranoside|hydranitriloside A1|[3-(beta-D-glucopyranosyloxy)-4-hydroxyphenyl]acetonitrile
Di-Et dithioacetal,5,6-O-isopropylidene-D-2-Amino-2-deoxyglucose
5-deoxy-5-(ethylthio)adenosine|5-deoxy-5-ethylthioadenosine|5-Ethylthio-5-deoxyadenosin|5-Thioethyladenosin|Ethyl--sulfid|S-Aethyl-5-thio-adenosin|S-ethyl-5-thio-adenosine
Moringin
C14H17NO5S (311.08273920000005)
alpha-L-Mannopyranoside, 4-(isothiocyanatomethyl)phenyl 6-deoxy- is a natural product found in Moringa oleifera with data available. Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
fenamidone
D010575 - Pesticides > D005659 - Fungicides, Industrial > D000073739 - Strobilurins D016573 - Agrochemicals CONFIDENCE Reference Standard (Level 1); INTERNAL_ID 1015 CONFIDENCE standard compound; EAWAG_UCHEM_ID 3056
9,10-Dimethoxy-6aH-benzo[4,5][1,3]oxazino[2,3-a]isoindole-5,11-dione
PC(3:1/0:0)[U]
PC(0:0/3:1)
Asn-Ala-OH
C12H13N3O7 (311.07534680000003)
Ala-Asn-OH
C12H13N3O7 (311.07534680000003)
4-Hydroxybenzyl isothiocyanate rhamnoside
C14H17NO5S (311.08273920000005)
Moringin is a potent and selective TRPA1 ion channel natural agonist with an EC50 of 3.14 μM. Moringin does not activate or activates very weakly the vanilloids somatosensory channels TRPV1, TRPV2, TRPV3 and TRPV4, and the melastatin cooling receptor TRPM8. Moringin has hypoglycemic, antimicrobial, anti-inflammatory, anticancer and neuroprotection activities[1][2].
tert-Butyl 7-bromo-3,4-dihydroquinoline-1(2H)-carboxylate
3-bromo-4-(4,4-dimethylpiperidin-1-yl)benzoic acid
3-bromo-4-[(2-methylpiperidin-1-yl)methyl]benzoic acid
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]benzoic acid
n-(3-chloro-2-methyl-phenyl)-2-(tetrahydro-furan-2-yl)-succinamic acid
TERT-BUTYL 3-(BROMOMETHYL)-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE
2-BOC-6-CHLORO-3,4-DIHYDRO-1H-ISOQUINOLINE-1-CARBOXYLIC ACID
Diethyl 2-(((3-chloro-4-methylphenyl)amino)methylene)malonate
ETHYL 6-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PICOLINATE
3(R)-Iodomethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
(4S)-4-benzyl-3-(2-bromopropanoyl)oxazolidin-2-one
3(S)-IODOMETHYL-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Acetic acid, [[(1,1-dimethylethoxy)carbonyl]amino](dimethoxyphosphinyl)-, ethyl ester
5-Chloro-3-hydroxy-2-methyl-2-naphthanilide
C18H14ClNO2 (311.07130140000004)
Benzenesulfonamide,N,N-bis(2-chloroethyl)-4-methoxy-
tert-Butyl (1-(4-bromophenyl)cyclopropyl)carbamate
2,3-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE
1,3-DiMethyl 2-[4-(Methoxycarbonyl)-2-nitrophenyl]propanedioate
C13H13NO8 (311.06411380000003)
ethyl 6-amino-5-chloro-2-(4-chlorophenyl)pyrimidine-4-carboxylate
TERT-BUTYL 5-BROMO-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-1-CARBOXYLATE
s4-(2-cyanoethyl)-4-thiothymidine
C13H17N3O4S (311.09397220000005)
4-(N-[2,4-DIAMINO-6-PTERIDINYLMETHYL]-AMINO)BENZOIC ACID SODIUM SALT
(4-(2-(1,3-Dioxoisoindolin-2-yl)ethoxy)phenyl)boronic acid
C16H14BNO5 (311.09649840000003)
3-[2-nitro-4-(trifluoromethyl)phenoxy]benzaldehyde
tert-Butyl 2-(iodomethyl)-1-pyrrolidinecarboxylate
3-(3-METHOXYBENZAMIDO)FURO[2,3-B]PYRIDINE-2-CARBOXAMIDE
N1-(4-[(3,5-DIOXOPIPERAZINO)SULFONYL]PHENYL)ACETAMIDE
9-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
C16H13N3O2S (311.07284380000004)
7-[(3R)-3-aminopyrrolidin-1-yl]-N,N-dimethyl-2,1,3-benzoxadiazole-4-sulfonamide
5-BUTYRYLAMINONAPHTHALENE-1-SULFONYLCHLORIDE
C14H14ClNO3S (311.03828840000006)
tert-Butyl 7-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
Flutiazin
C14H8F3NO2S (311.02278240000004)
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
ETHYL 5-HYDROXY-7-OXO-2-PHENYL-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXYLATE
1,2-NAPHTHALENEDIOL, 5,6,7,8-TETRAHYDRO-6-(METHYL-2-PROPYNYLAMINO)-, HYDROBROMIDE
3-(2-Formyl-4-nitrophenoxy)benzotrifluoride, 2-Formyl-4-nitro-3-(trifluoromethyl)diphenyl ether
Tert-butyl 8-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
1-Naphthalenamine,N,N-bis(2-chloroethyl)-4-methoxy-3-methyl-
C16H19Cl2NO (311.08436240000003)
N-Acetyl-9-deoxy-9-fluoroneuraminic Acid
C11H18FNO8 (311.10164000000003)
METHYL 3-{[(4-METHYLPHENYL)SULFONYL]AMINO}-2-THIOPHENECARBOXYLATE
PNU-120596
PNU-120596 (NSC 216666) is a potent and selective α7 nAChR positive allosteric modulator (PMA) with an EC50 of 216 nM. PNU-120596 is inactive against α4β2, α3β4, and α9α10 nAChRs. PNU-120596 has the potential for psychiatric and neurological disorders research[1].
3H-1,2,4-Triazole-3-thione,5-[(2,6-dimethylphenoxy)methyl]-2,4-dihydro-4-phenyl-
2-(BENZYLAMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE
4-Chloro-3-hydroxy-2-methyl-2-naphthanilide
C18H14ClNO2 (311.07130140000004)
1-cyclopropyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid ethyl ester
C15H12F3NO3 (311.07692380000003)
tert-butyl 6-bromo-3,4-dihydroisoquinoline-2(1H)-carboxylate
3-(2-CHLOROBENZYLIDENE)-3H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER
C18H14ClNO2 (311.07130140000004)
4-(3,4-DIHYDRO-2H-1,5-BENZODIOXEPIN-7-YL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINAMINE
5-[3-fluoroanilino(methylthio)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione
4-(2,3-Dichlorophenyl)-1,4-dihydro-2,6-dimethyl-3-pyridinecarboxylic acid methyl ester
Benzenepropanoic acid,-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)oxy]-,(aR)-
methyl 1,4-dihydroxy-7-phenoxyisoquinoline-3-carboxylate
8-Methoxy-1,3-dimethyl-12-thioxopyrido[1,2:3,4]imidazo[1,2-a]benzimidazol-2(12H)-one
C16H13N3O2S (311.07284380000004)
Ethyl 6,7-difluoro-1-methyl-4-oxo-4H-[1,3]thiazeto[3,2-a]quinoline-3-carboxylate
dimethyl 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]propanedioate
C11H9ClF3NO4 (311.01721799999996)
2-bromo-3,3-dimethyl-N-(2,4,6-trimethylphenyl)butanamide
TERT-BUTYL 5-BROMO-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
2-(4-Nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-7-ol
2-amino-4-chloro-N-(2-methylquinolin-6-yl)benzamide
dimethylsilyl (t-butylamido)(cyclopentadienyl) titanium dichloride
(4-(N-(3-CHLOROPHENYL)SULFAMOYL)PHENYL)BORONIC ACID
C12H11BClNO4S (311.01903460000005)
2-Thiophenesulfonamide, 5-chloro-N-((1S)-2-ethyl-1-(hydroxymethyl)butyl)-
Cytosine, 1-(beta-D-arabinofuranosyl)-thio-
C9H14ClN3O5S (311.03426640000004)
2-(1,3-Dioxoisoindol-2-yl)-3-(4-hydroxyphenyl)propanoic acid
Eptazocine hydrobromide
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent
N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethyl-3-thiophenesulfonamide
C14H17NO3S2 (311.06498120000003)
2-(2,4-dichlorophenoxy)-N-(1H-pyrrol-2-ylmethylene)acetohydrazide
5-(2,5-difluorophenyl)-N-(2-oxolanylmethyl)-6H-1,3,4-thiadiazin-2-amine
N-(3-chloro-4-hydroxy-2,5-dimethylphenyl)benzenesulfonamide
C14H14ClNO3S (311.03828840000006)
2-Benzyl-5-(4-bromophenyl)-1H-pyrrole
C17H14BrN (311.03095440000004)
(3s)-1-{[4-(But-2-Yn-1-Yloxy)phenyl]sulfonyl}pyrrolidine-3-Thiol
C14H17NO3S2 (311.06498120000003)
1-[(2s)-4-(5-Bromo-1h-Pyrazolo[3,4-B]pyridin-4-Yl)morpholin-2-Yl]methanamine
2-(beta-D-Glucopyranosyl)-5-methyl-1,3,4-benzothiazole
C14H17NO5S (311.08273920000005)
metamizole
C13H17N3O4S (311.09397220000005)
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D058633 - Antipyretics
3-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)pyridin-2-amine
Geranyl diphosphate(3-)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
N-[(S-(Z)-Phenylacetohydroximoyl)-L-cysteinyl]glycine
C13H17N3O4S (311.09397220000005)
4-{[(2-amino-4-hydroxypteridin-6-yl)methyl]amino}benzoate
[5-(4,5-diamino-1H-imidazol-3-ium-3-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
C8H16N4O7P+ (311.07565760000006)
(3Z,5E)-3,5-bis[(2-fluorophenyl)methylidene]piperidin-4-one
C19H15F2NO (311.11216440000004)
3-(4-ethoxyphenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
2-methoxy-N-(5-phenyl-1,2,4-thiadiazol-3-yl)benzamide
C16H13N3O2S (311.07284380000004)
1-Benzo[b]thiophen-2-ylmethyl-5-fluoro-1H-indole-2,3-dione
C17H10FNO2S (311.04162520000006)
3-[3-(phenylthio)-1H-indol-2-yl]propanoic acid methyl ester
4-Hydroxybenzoic acid (2-phenyl-4-thiazolyl)methyl ester
C17H13NO3S (311.06161080000004)
1-(6-Methyl-2-pyridinyl)-3-[3-(trifluoromethyl)phenyl]thiourea
6-chloro-3-[2-(diethylamino)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
C14H18ClN3OS (311.08590480000004)
2-(2-Furanyl)-4-mercapto-3-(4-methylphenyl)-6-oxo-1,2-dihydropyrimidine-5-carbonitrile
C16H13N3O2S (311.07284380000004)
8-Methylsulfinyl-4,5-dihydrothieno[3,4-g][2,1]benzoxazole-6-carboxylic acid ethyl ester
3-Amino-2-(4-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
N-(3-cyano-4-ethyl-5-methyl-2-thiophenyl)-3-pyrazolo[1,5-a]pyrimidinecarboxamide
C15H13N5OS (311.08407680000005)
5-(4-Ethoxyanilino)-2-thiophen-2-yl-4-oxazolecarbonitrile
C16H13N3O2S (311.07284380000004)
Ethyl 4-[[(2-methoxyacetyl)amino]carbamothioylamino]benzoate
C13H17N3O4S (311.09397220000005)
1-(1H-indol-3-yl)-2-[(6-methyl-2-nitro-3-pyridinyl)oxy]ethanone
2,4-dimethyl-6-oxo-N-[(2,4,6-trifluorophenyl)methyl]-3-pyrancarboxamide
C15H12F3NO3 (311.07692380000003)
N-(2,6-dimethylphenyl)-5-(4-methyl-3-thiophenyl)-2-furancarboxamide
4-Methoxy-6-[5-(2-nitrophenyl)-1,2-dihydropyrazol-3-ylidene]-1-cyclohexa-2,4-dienone
2-Methyl-5-(5-methyl-2-furanyl)-3-(1-pyrrolyl)-4-thieno[2,3-d]pyrimidinone
C16H13N3O2S (311.07284380000004)
N-[(E)-1-(1,3-Benzodioxol-5-yl)ethylideneamino]-1,3-benzothiazol-2-amine
C16H13N3O2S (311.07284380000004)
S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteinate
C13H15N2O5S- (311.07016400000003)
An S-substituted N-acetyl-L-cysteine that is the conjugate base of S-(5-acetamido-2-hydroxyphenyl)-N-acetyl-L-cysteine, obtained by deprotonation of the carboxy group; major species at pH 7.3.
4-(4-Phenoxy-1-piperidinyl)thieno[2,3-d]pyrimidine
6-chloro-N-(2-methylpropyl)-2-phenyl-1-benzopyran-4-imine
(5R)-3-(benzylamino)-5-(4-chlorophenyl)cyclohex-2-en-1-one
[3,7-Dimethylocta-2,6-dienoxy(oxido)phosphoryl] phosphate
9-chloro-3-(pyridin-4-ylmethyl)-5H-pyrimido[5,4-b]indol-1-ium-4-one
C16H12ClN4O+ (311.06995919999997)
[Oxido-[(2,4,4-trimethylcyclohexen-1-yl)methoxy]phosphoryl] phosphate
(6aR)-9,10-dimethoxy-6aH-isoindolo[2,3-a][3,1]benzoxazine-5,11-dione
Taxiphyllin
(R)-4-hydroxymandelonitrile beta-D-glucoside is a beta-D-glucoside consisting of (R)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring. It is a beta-D-glucoside and a nitrile. It is functionally related to a (R)-prunasin. Taxiphyllin is a natural product found in Girgensohnia oppositiflora, Caroxylon tetrandrum, and other organisms with data available.
Geranyl diphosphate(3-)
Trianion of geranyl diphosphate arising from deprotonation of the three OH groups of the diphosphate; major species at pH 7.3.
phosphatidylcholine (18:0/20:2)
A 1,2-diacyl-sn-glycero-3-phosphocholine in which one acyl group has 18 carbons and is fully saturated while the other has 20 carbons and 2 double bonds.
5-ethylthioadenosine
A thioadenosine that is adenosine with the hydroxy group at C-5 substituted with an ethylthio (ethylsulfanyl) group.
(S)-4-Hydroxymandelonitrile beta-D-glucoside
A beta-D-glucoside consisting of (S)-prunasin carrying a hydroxy substituent at position 4 on the phenyl ring.
EF24
C19H15F2NO (311.11216440000004)
EF24 is a curcumin analogue with greater anti-tumor efficacy and oral bioavailability via deactivation of the MAPK/ERK signaling pathway in oral squamous cell carcinoma (OSCC). EF24 treatment increases the levels of activated caspase 3 and 9, and decreases the phosphorylated forms of MEK1 and ERK[1][2].
aristolactam c ii; 9-hydroxy,o2-de-me
{"Ingredient_id": "HBIN016769","Ingredient_name": "aristolactam c ii; 9-hydroxy,o2-de-me","Alias": "NA","Ingredient_formula": "C17H13NO5","Ingredient_Smile": "NA","Ingredient_weight": "0","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "6675","PubChem_id": "NA","DrugBank_id": "NA"}
aristoliukine a
{"Ingredient_id": "HBIN016795","Ingredient_name": "aristoliukine a","Alias": "NA","Ingredient_formula": "C17H13NO5","Ingredient_Smile": "COC1=C(C(=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)CO)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1711","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}