Exact Mass: 232.05356959999997
Exact Mass Matches: 232.05356959999997
Found 500 metabolites which its exact mass value is equals to given mass value 232.05356959999997,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
5-Hydroxyxanthotoxin
5-hydroxyxanthotoxin is a member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5. It has a role as a metabolite. It is functionally related to a methoxsalen. It is a conjugate acid of a 5-hydroxyxanthotoxin(1-). 5-Hydroxyxanthotoxin is a natural product found in Niphogeton ternata and Apis cerana with data available. D011838 - Radiation-Sensitizing Agents > D017319 - Photosensitizing Agents > D011564 - Furocoumarins A member of the class of psoralens that is xanthotoxin substituted by a hydroxy group at position 5.
Thorium
Th (232.038054)
Thorium is a naturally occurring radioactive chemical element with the symbol Th and atomic number 90. It was discovered in 1828 by the Swedish chemist Jons Jakob Berzelius and named after Thor, the Norse god of thunder. In nature, virtually all thorium is found as thorium-232, which undergoes alpha decay with a half-life of about 14.05 billion years. The element has no known biological role. [Wikipedia]. Thorium is found in many foods, some of which are cashew nut, almond, black walnut, and butternut. Thorium is a natural radioactive chemical element with the symbol Th and atomic number 90. In nature, virtually all thorium is found as thorium-232, and it decays by emitting an alpha particle, and has a half-life of about 14.05 billion years (other, trace-level isotopes of thorium are short-lived intermediates of decay chains). It is estimated to be about four times more abundant than uranium in the Earths crust and is a by-product of the extraction of rare earths from monazite sands. -- Wikipedia.
2-hydroxy-7-methoxy-5-methyl-1-naphthoic acid
A member of the class of naphthoic acids that is 1-naphthoic acid substituted at positions 2, 5 and 7 by hydroxy, methyl and methoxy groups respectively.
9-Hydroxy-4-methoxypsoralen
9-Hydroxy-4-methoxypsoralen is a member of psoralens. 8-Hydroxybergapten is a natural product found in Leionema nudum, Angelica japonica, and other organisms with data available. 9-Hydroxy-4-methoxypsoralen is found in pomes. 9-Hydroxy-4-methoxypsoralen is isolated from Casimiroa edulis (Mexican apple). 9-Hydroxy-4-methoxypsoralen is found in pomes. 9-Hydroxy-4-methoxypsoralen is isolated from Casimiroa edulis (Mexican apple). Isolated from Casimiroa edulis (Mexican apple). 9-Hydroxy-4-methoxypsoralen is found in wild celery and pomes. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol
(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol is found in mushrooms. (2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol is isolated from Fistulina hepatica (beefsteak fungus). Isolated from Fistulina hepatica (beefsteak fungus). (2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol is found in mushrooms.
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein is found in herbs and spices. (2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein is a constituent of Chrysanthemum coronarium (chop-suey greens)
Sampangine
Sampangine is an alkaloid from the stem bark of Cananga odorata (ylang ylang Alkaloid from the stem bark of Cananga odorata (ylang ylang).
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol is found in fruits. 3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol is a constituent of the fruit of Pimenta dioica (allspice) Constituent of the fruit of Pimenta dioica (allspice). 3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol is found in herbs and spices and fruits.
Dihydrocoriandrin
Dihydrocoriandrin is found in coriander. Dihydrocoriandrin is a constituent of Coriandrum sativum (coriander). Constituent of Coriandrum sativum (coriander). Dihydrocoriandrin is found in coriander and herbs and spices.
Salfredin B11
Salfredin B11 is found in herbs and spices. Salfredin B11 is a constituent of the seeds of Nigella sativa (black cumin). Constituent of the seeds of Nigella sativa (black cumin). Salfredin B11 is found in herbs and spices.
Cassiachromone
Cassiachromone is found in green vegetables. Cassiachromone is isolated from Rheum sp. (rhubarb
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin is found in alcoholic beverages. 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin is a constituent of hops. Constituent of hops. 4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin is found in alcoholic beverages.
4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one
4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one is found in tea. 4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one is a constituent of the leaves of Camellia sinensis (Japanese tea)
Cyclobrassinone
Cyclobrassinone is found in brassicas. Cyclobrassinone is isolated from Brassica oleracea var. gongylodes (kohlrabi). Isolated from Brassica oleracea variety gongylodes (kohlrabi). Cyclobrassinone is found in brassicas.
Hexahydro-2',4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3'(2'H)-furan]
Hexahydro-2,4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3(2H)-furan] is a minor component (35\\%) of the meaty flavouring ingredient *FEMA 3270*. Minor component (35\\%) of the meaty flavouring ingredient *FEMA 3270*
Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]
Hexahydro-2,3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3(2H)-furan] is a major component (65\\%) of the meaty flavour ingredient *FEMA 3270*. Major component (65\\%) of the meaty flavour ingredient *FEMA 3270*
Camphorsulfonic acid
C10H16O4S (232.07692559999998)
(2S)-5-Amino-2-[(2-carboxy-2-oxoethyl)amino]-5-oxopentanoic acid
Rutalexin
Rutalexin is a member of the class of compounds known as indoles. Indoles are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole. Rutalexin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Rutalexin can be found in chinese cabbage, which makes rutalexin a potential biomarker for the consumption of this food product.
Sodium (4-methoxybenzoyloxy)acetate
C10H9NaO5 (232.03476639999997)
It is used as a food additive .
Sodium octyl sulfate
It is used in washing/lye peeling of fruits and vegetables, poultry scald agent
threo-3-Chloro-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
Dihydrocoriandrin
2-Propenoic acid, 3-[4-(trifluoromethoxy)phenyl]-
C10H7F3O3 (232.03472680000002)
3-{[(2-Cyano-1-methylvinyl)amino]carbonyl}-2-pyrazinecarboxylic acid
(-)-Goniobutenolide B|(?)-goniobutenolide B|goniobutenolide B
tremeton, 2,3-dehydro-2-<2-propanyl-2,3-epoxi-1-ol>
6-Hydroxy-4,5-dimethoxy-2-naphthaldehyd|6-hydroxy-4,5-dimethoxy-2-naphthaldehyde|6-Hydroxy-4,5-dimethoxy-naphthaldehyd-(2)
2,4-Pentadienoic acid, 5-(1,3-benzodioxol-5-yl)-, methyl ester, (E,Z)-
(3Z,6Z)-O-Sulfate-3,6,9-Decatrien-1-ol
C10H16O4S (232.07692559999998)
(E)-1-[5-(hept-5-en-1,3-diynyl)-2-thienyl]ethan-1,2-diol|(E)-2-[5-(hept-5-en-1,3-diynyl)-thien-2-yl]-ethan-1,2-diol
5-Vinyl-2-(trans-propen-(1)-yl-(1))-dithienyl-(5,2)|5-Vinyl-2--dithienyl-(5,2)
Ac-(7E)-2-Chloro-3-(7-nonene-1, 3, 5-triynyl)cyclopropanemethanol, 8CI
(+)-crassalactone D|8-epi-crassalactone D|crassalactone D
Kifunensine
D004791 - Enzyme Inhibitors Kifunensine, a potent and selective inhibitor of class I α-mannosidases isolated from Actinomycete, prevents α-mannosidases I from trimming mannose residues on glycoproteins. Kifunensine inhibits ERAD[1][2][3].
Aloesone
An aromatic heptaketide produced by rhubarb (Rheum palmatum, Polygonaceae).
beta-Methylene-5-acetyl-6-hydroxy-2-benzofuranethanol
(1R)-1-Chlormethyl-4,7syn,8anti-trimethyl-2,5-dioxa-bicyclo[2.2.2]octan-3,6-dion|(1R)-1-chloromethyl-4,7syn,8anti-trimethyl-2,5-dioxa-bicyclo[2.2.2]octane-3,6-dione
4-hydroxy-3,8-dimethoxy-1-naphthaldehyde|eucleanal B
5-hydroxy-9-methyl-1-(2-oxopropyl)benzo[beta]oxepin-7(2H)-one
5-acetyl-6-hydroxy-2-isopropylidene-3(2h)-benzofuranone
2-Naphthalenecarboxylic acid, 5-hydroxy-4-methoxy-, methyl ester
3,4-Dihydro-1-hydroxy-3,4-dioxonaphthalene-2-carboxylic acid methyl ester
2-hydroxy-2-(4-hydroxybenzyl)-4-methylcyclopent-4-ene-1,3-dione
2-[(5-Acetyl-6-hydroxy-2,3-dihydrobenzofuran)-2-yl]acrylaldehyde
2-(1-Formylethenyl)-5-hydroxy-6-acetyl-2,3-dihydrobenzofuran
4-(p-Methoxybenzoyl)-1-methylmercapto-1cis-buten-(1)-in-(3)|4--1-methylmercapto-1cis-buten-(1)-in-(3)
(R)-coniochaetone B|(r)-form-Coniochaetone B|coniochaetone B
1-(6,7-dihydroxy-2-isopropenyl-benzofuran-5-yl)-ethanone|6,7-Dihydroxy-2-isopropenyl-5-acetyl-cumaron|7-Hydroxyeuparin
(2Z,8Z)-10-acetoxydeca-2,8-diene-4,6-diynoic acid methyl ester|10-Acetoxy-cis,cis-matricariaester|Ac,Me ester-(Z,Z)-10-Hydroxy-2,8-decadiene-4,6-diynoic acid|methyl 2(Z),8(Z)-10-acetoxymatricariate|methyl Z,Z-10-acetoxy-matricariate
2-[(2-methylsulfanyl)pentyl]maleate
C10H16O4S (232.07692559999998)
C13H12O4_3-Hydroxy-2-phenyl-2,3,3a,7a-tetrahydro-5H-furo[3,2-b]pyran-5-one
5H-Oxireno[4,5]furo[3,2-g][1]benzopyran-5-one, 1a,8b-dihydro-3-methoxy-
D-Camphorsulfonic acid
C10H16O4S (232.07692559999998)
C1892 - Chemopreventive Agent > C851 - Sunscreen
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein
4-hydroxy-8-methoxy-2H-furo[2,3-h]chromen-2-one
Sampangine
A copyrine alkaloid with formula C15H8N2O, extracted from several plants including the stem bark of Cananga odorata. It is a heme biosynthesis inhibitor and exhibits antifungal and anticancer properties.
3-Chloro-1-(4-hydroxy-3-methoxyphenyl)-1,2-propanediol
Carbonyl selenide
8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
2,4-dimethyl-tetrahydrospiro[[1,3]dithiolo[4,5-c]furan-2,3-oxolane]
hexahydro-23a-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3(2H)-furan]
5-(4-Methyl-3-pentenyl)-1,2,3-trithia-5-cycloheptene
Sulfamide, (3,4-dimethoxyphenyl)- (9CI)
C8H12N2O4S (232.05177519999998)
(2-amino-5-chlorophenyl)-pyridin-3-ylmethanone
C12H9ClN2O (232.04033739999997)
2,3,5,6-tetramethylbenzenesulfonyl chloride
C10H13ClO2S (232.03247480000002)
2-(3-METHYL-4-NITRO-PHENYL)-OXAZOLE-4-CARBALDEHYDE
6-CHLORO-3-(1,2,3,6-TETRAHYDRO-PYRIDIN-4-YL)-1H-INDOLE
3-[3-(Trifluoromethoxy)phenyl]acrylic acid
C10H7F3O3 (232.03472680000002)
3-tert-Butylbenzenesulfonyl chloride
C10H13ClO2S (232.03247480000002)
2-Amino-5-methyl-4-phenylthiophene-3-carboxamide
C12H12N2OS (232.06703019999998)
2-Amino-4-(4-fluorophenyl)-5-methylthiophene-3-carbonitrile
C12H9FN2S (232.04704459999996)
4-t-Butylbenzenesulfonyl chloride
C10H13ClO2S (232.03247480000002)
5-METHYL-4-(4-METHYLPHENYL)THIOPHENE-3-CARBOXYLICACID
4-(2-methylpropyl)benzenesulfonyl chloride
C10H13ClO2S (232.03247480000002)
1-(furan-2-ylmethyl)-1-phenylthiourea
C12H12N2OS (232.06703019999998)
(4-Chloro-[1,1-biphenyl]-4-yl)boronic acid
C12H10BClO2 (232.04623400000003)
L(-)-Camphorsulfonic acid
C10H16O4S (232.07692559999998)
3-FLUORO-2-HYDROXY-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
5-FLUORO-4-HYDROXY-[1,1-BIPHENYL]-3-CARBOXYLIC ACID
6-allyloxybenzothiophene-2-carboxamidine
C12H12N2OS (232.06703019999998)
7-Fluoro-6-nitro-1,2,3,4-tetrahydroisoquinoline hydrochloride
Methyl 4-amino-2,3-difluoro-5-nitrobenzoate
C8H6F2N2O4 (232.02956199999997)
2-METHYL-4-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
2,3-DIHYDRO-5,7-BIS(TRIFLUORMETHYL)-1H-1,4-DIAZEPINE
5-(4-METHOXYPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
5-Amino-1-(3-chlorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
C11H9ClN4 (232.05157039999997)
5-Amino-1-(2-chlorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
C11H9ClN4 (232.05157039999997)
(4-Chloro-butane-1-sulfonyl)-benzene
C10H13ClO2S (232.03247480000002)
5-METHYL-2-OXO-5-PHENYL-2,5-DIHYDROFURAN-3-CARBOXYLIC ACID METHYL ESTER
ETHYL 3,4,5-TRIFLUOROBENZOYLFORMATE
C10H7F3O3 (232.03472680000002)
4-[(4,6-Dimethylpyrimidin-2-yl)thio]phenol
C12H12N2OS (232.06703019999998)
5-ISOPROPYL-2-METHYLBENZENE-1-SULFONYL CHLORIDE
C10H13ClO2S (232.03247480000002)
Benzenesulfonamide,4-amino-2,5-dimethoxy-
C8H12N2O4S (232.05177519999998)
3-benzyl-2-methylsulfanylimidazole-4-carbaldehyde
C12H12N2OS (232.06703019999998)
Pralidoxime mesylate
C8H12N2O4S (232.05177519999998)
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002801 - Cholinesterase Reactivators C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist D020011 - Protective Agents > D000931 - Antidotes D004793 - Enzyme Reactivators
1,2,3,4-TETRAHYDRO-1,4-METHANONAPHTHALENE-2,3-DICARBOXYLIC ACID
5-Amino-1-(4-chlorophenyl)-3-methyl-1H-pyrazole-4-carbonitrile
C11H9ClN4 (232.05157039999997)
3-Methylbenzo[d]thiazolo[3,2-a]imidazole-2-carboxylic acid
Morpholine,4-(3-azetidinyl)-(9CI)
C7H18Cl2N2O2 (232.07452680000003)
BENZENEPROPANOIC ACID, .ALPHA.-OXO-4-(TRIFLUOROMETHYL)-
C10H7F3O3 (232.03472680000002)
D-Lysine Methyl Ester Dihydrochloride
C7H18Cl2N2O2 (232.07452680000003)
METHYL 4-CYANO-3-(1H-PYRROL-1-YL)THIOPHENE-2-CARBOXYLATE
(R)-1,1,1-TRIFLUORO-N-(PYRROLIDIN-2-YLMETHYL)METHANESULFONAMIDE
C6H11F3N2O2S (232.04933019999999)
(S)-1,1,1-TRIFLUORO-N-(PYRROLIDIN-2-YLMETHYL)METHANESULFONAMIDE
C6H11F3N2O2S (232.04933019999999)
Benzamide,4-amino-N-(2-thienylmethyl)-
C12H12N2OS (232.06703019999998)
3-(4-(Trifluoromethoxy)phenyl)acrylic acid
C10H7F3O3 (232.03472680000002)
3-AMINO-4-BENZOYL-2-CHLOROPYRIDINE
C12H9ClN2O (232.04033739999997)
5-BENZO[1,3]DIOXOL-5-YL-2H-PYRAZOLE-3-CARBOXYLIC ACID
Benzene,1-[(3-chloropropyl)sulfonyl]-4-methyl-
C10H13ClO2S (232.03247480000002)
Nifurprazine
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
(5-ACETOXY-1,3-OXATHIOLAN-2-YL)METHYL BUTYRATE
C10H16O4S (232.07692559999998)
4-Chloro-2-fluoro-3-isopropoxyphenylboronic acid
C9H11BClFO3 (232.04737680000002)
4-Chloro-2-fluoro-3-propoxyphenylboronic acid
C9H11BClFO3 (232.04737680000002)
Ethyl 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxylate hydrochloride
4-(4-methoxyphenyl)-2-(methylthio)pyrimidine
C12H12N2OS (232.06703019999998)
1-MERCAPTO-4-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINAZOLIN-5(4H)-ONE
C10H8N4OS (232.04187979999998)
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-chloroacetamide
4-chloro-1-ethyl-[1,2,4]triazolo[4,3-a]quinoxaline
C11H9ClN4 (232.05157039999997)
(2-amino-4-chloropyridin-3-yl)-phenylmethanone
C12H9ClN2O (232.04033739999997)
5-Methyl-4-phenylthiophene-3-carbohydrazide
C12H12N2OS (232.06703019999998)
2-(3-aminopropylamino)ethylsulfanylphosphonic acid,hydrate
2-(5,7-difluoro-1H-indol-3-yl)ethanamine,hydrochloride
1H-Benzimidazole,5-[5-(methylthio)-1,3,4-oxadiazol-2-yl]-(9CI)
C10H8N4OS (232.04187979999998)
2-Phenylamino-4-Methyl-5-Acetyl Thiazole
C12H12N2OS (232.06703019999998)
2-METHYL-2-(METHYLTHIO)-[1,1-BIPHENYL]-4-CARBOXYLIC ACID
methyl 3-(5-chlorothiophen-2-yl)-2,2-dimethylpropanoate
C10H13ClO2S (232.03247480000002)
1,3-Dihydroxy-2-naphthalenecarboxylic acid ethyl ester
(Z)-2-METHYL-4-(2-NITROBENZYLIDENE)OXAZOL-5(4H)-ONE
N-(4-AMINO-2-(THIOPHEN-2-YL)PHENYL)ACETAMIDE
C12H12N2OS (232.06703019999998)
6-(furan-2-ylmethyl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
4-(4,5,6,7-tetrahydro-1H-[1,3]thiazolo[5,4-c]pyridin-2-ylidene)cyclohexa-2,5-dien-1-one
C12H12N2OS (232.06703019999998)
methyl 5-fluoro-2-pyrimidin-2-ylbenzoate
C12H9FN2O2 (232.06480259999998)
methyl 2-fluoro-6-pyrimidin-2-ylbenzoate
C12H9FN2O2 (232.06480259999998)
Sodiumato diisobutylphosphinodithioatato
C8H18NaPS2 (232.04851979999998)
2,2,2-trifluoro-N-(piperidin-4-yl)acetamide hydrochloride
C7H12ClF3N2O (232.05902079999998)
(E)-1-[1-(2-Hydroxyphenyl)-2-(methylthio)ethenyl]-1H-imidazole
C12H12N2OS (232.06703019999998)
EXO-2-CHLORO-5,5-ETHYLENEDIOXY-BICYCLO[2.2.1!HEPTANE-SYN-7-CARBOXYLIC ACID
Thiophene-2-carboxylic acid(R)-pyrrolidin-3-ylaMide hydrochloride
4-tert-butylphenyl sulfochloridate
C10H13ClO2S * (232.03247480000002)
EXO-2-CHLORO-5,5-ETHYLENEDIOXY-BICYCLO[2.2.1]HEPTANE-SYN-7-CARBOXYLIC ACID
2-(4-trifluoromethoxyphenyl)malondialdehyde
C10H7F3O3 (232.03472680000002)
2-(6-METHOXYNAPHTHALEN-1-YL)-2-OXOACETALDEHYDE HYDRATE
5-(2-METHOXYPHENYL)FURAN-2-CARBOXYLIC ACID METHYL ESTER
N-(4-chlorophenyl)pyridine-2-carboxamide
C12H9ClN2O (232.04033739999997)
5-(Pyridin-2-ylcarbamoyl)-3H-imidazole-4-carboxylic acid
(3-((1H-1,2,4-TRIAZOL-3-YL)CARBAMOYL)PHENYL)BORONIC ACID
Ethyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate hydrochloride
1-diethoxyphosphoryl-4-fluorobenzene
C10H14FO3P (232.06645559999998)
6-Benzyl-2-(methylsulfanyl)-4-pyrimidinol
C12H12N2OS (232.06703019999998)
2-(ethylthio)-6-phenyl-1H-pyrimidin-4-one
C12H12N2OS (232.06703019999998)
1-[4-[(2-Amino-5-thiazolyl)methyl]phenyl]ethanone
C12H12N2OS (232.06703019999998)
N-(2-pyridin-4-ylethyl)thiophene-2-carboxamide
C12H12N2OS (232.06703019999998)
2-[4-(3-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
C11H9FN4O (232.07603559999995)
4-[5-(prop-2-ynylthio)-3H-1,3,4-oxadiazol-2-ylidene]-1-cyclohexa-2,5-dienone
8-hydroxybergapten
8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
(2E,4E)-6-(2-aminophenyl)-2-hydroxy-6-oxohexa-2,4-dienoate
3-Carboxy-7-(methylthio)-2-oxoheptanoate
C9H12O5S-2 (232.04054219999998)
(Z)-2-(5-methylsulfanylpentyl)but-2-enedioic acid
C10H16O4S (232.07692559999998)
(2S)-5-Amino-2-[(2-carboxy-2-oxoethyl)amino]-5-oxopentanoic acid
2-(Hydroxyimino-Methyl)-1-Methyl-Pyridinium Methane Sulfonate
C8H12N2O4S (232.05177519999998)
3-Hydroxy-3-(thiazol-2-yl)indolin-2-one
An oxindole that is indolin-2-one substituted at position 3 by thiazol-2-yl and hydroxy groups.
methyl (2E)-1,3-benzothiazol-2(3H)-ylidene(cyano)acetate
An alkyl cyanoacetate ester that is methyl cyanoacetate with a 1,3-benzothiazol-2(3H)-ylidene substituent at position 2.
N-(3,4-dimethyl-2-thiazolylidene)benzamide
C12H12N2OS (232.06703019999998)
(5Z)-5-benzylidene-2-ethylsulfanyl-1H-imidazol-4-one
C12H12N2OS (232.06703019999998)
(2E,4Z)-2-hydroxy-6-(2-oxidophenyl)-6-oxohexa-2,4-dienoate
1-(4-Methyl-2-phenyl-5-thiazolyl)ethanone oxime
C12H12N2OS (232.06703019999998)
7-(hydroxymethyl)-6-[(E)-2-methoxyethenyl]chromen-2-one
5-hydroxy-3-[(E)-3-hydroxybut-1-enyl]isochromen-1-one
3-hydroxy-6-[(E)-2-methoxyethenyl]-7-methylchromen-2-one
4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin
(2S,3S,4S)-5,7,9,11-Tridecatetrayne-1,2,3,4-tetrol
4-Hydroxy-8-methoxy-2H-furo[2,3-h]-1-benzopyran-2-one
Hexahydro-2,4-dimethylspiro[1,3-dithiolo[4,5-c]furan-2,3(2H)-furan]
2-formamidophenyl-2-thiazolylketone
An aromatic ketone in which the two substituents attached to the carbonyl group are 2-formamidophenyl and thiazol-2-yl.
N-[(2S)-2-amino-2-carboxyethyl]-L-glutamate(2-)
A tricarboxylic acid dianion obtained by deprotonation of the three carboxy groups and protonation of the secondary amino group of N-[(2S)-2-amino-2-carboxyethyl]-L-glutamic acid. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Ethylenediaminetriacetate(2-)
A tricarboxylic acid anion obtained by removal of two protons from ethylenediaminetriacetic acid.
8-Hydroxybergapten
8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2]. 8-hydroxybergapten is O-methylated by cell-free extracts of Ruta cells to isopimpinellin, in reactions mediated by discrete O-methyltransferases. 8-hydroxybergapten has excellent anti-wrinkle effect[1][2].
VU0364770
C12H9ClN2O (232.04033739999997)
VU0364770 is a selective and potent positive allosteric modulator (PAM) of mGlu4. VU0346770 exhibits EC50s of 290 nM and 1.1 μM at rat mGlu4 and human mGlu4 receptor, respectively. VU0364770 exhibits antagonist activity at mGlu5 with a potency of 17.9 μM and PAM activity at mGlu6 with a potency of 6.8 μM. VU0364770 also possesses activity at MAO with Ki values of 8.5 and 0.72 μM for human MAO-A and human MAO-B, respectively[1].
1-{5-[(5e)-hept-5-en-1,3-diyn-1-yl]thiophen-2-yl}ethane-1,2-diol
1-[5-hydroxy-2-(1-hydroxyprop-1-en-1-yl)-1-benzofuran-6-yl]ethanone
4-methoxy-5-[methoxy(phenyl)methylidene]furan-2-one
1,6-dihydroxy-8-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one
(5r)-3,7-dimethyl-2,6-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),3,7,9,11-pentaene-5,11-diol
3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-hydroxy-5h-furan-2-one
(11s)-7-hydroxy-11-(prop-1-en-2-yl)-4,10-dioxatricyclo[7.3.0.0²,⁶]dodeca-1(9),2(6),7-trien-5-one
6-hydroxy-7-[(2-methylprop-1-en-1-yl)oxy]chromen-2-one
2,7,8-trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 8-me ether
{"Ingredient_id": "HBIN004998","Ingredient_name": "2,7,8-trihydroxy-6-methyl-1-naphthalenecarboxaldehyde; 8-me ether","Alias": "NA","Ingredient_formula": "C13H12O4","Ingredient_Smile": "NA","Ingredient_weight": "232.23","OB_score": "NA","CAS_id": "205672-79-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "8809","PubChem_id": "NA","DrugBank_id": "NA"}
5,8-dihydroxy-2,3,7-trimethyl-1,4-naphthalene dione
{"Ingredient_id": "HBIN011338","Ingredient_name": "5,8-dihydroxy-2,3,7-trimethyl-1,4-naphthalene dione","Alias": "NA","Ingredient_formula": "C13H12O4","Ingredient_Smile": "CC1=CC(=O)C2=C(C(=C(C(=C2C1=O)O)C)C)O","Ingredient_weight": "232.23 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7702","PubChem_id": "616091","DrugBank_id": "NA"}
6-(trans-1-buten-3-oxy)-7-methoxycoumarin
{"Ingredient_id": "HBIN012828","Ingredient_name": "6-(trans-1-buten-3-oxy)-7-methoxycoumarin","Alias": "NA","Ingredient_formula": "C13H12O4","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2780","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
1-(furan-3-yl)-7a-methyl-1h,6h,7h-cyclopenta[c]pyran-3,5-dione
5-acetyl-6-hydroxy-2-(propan-2-ylidene)-1-benzofuran-3-one
1-[6,7-dihydroxy-2-(prop-1-en-2-yl)-1-benzofuran-5-yl]ethanone
1,8-dihydroxy-6-methyl-1h,2h,3h-cyclopenta[b]chromen-9-one
(3z,6z)-deca-3,6,9-trien-1-yloxysulfonic acid
C10H16O4S (232.07692559999998)
methyl (1r,5s)-1,3,5-trihydroxy-2-methoxy-5-methyl-4-oxocyclopent-2-ene-1-carboxylate
5-hydroxy-2-methoxy-6,7-dimethylnaphthalene-1,4-dione
methyl 1-hydroxy-3,4-dioxonaphthalene-2-carboxylate
2-[(2r)-5-acetyl-4-hydroxy-2,3-dihydro-1-benzofuran-2-yl]prop-2-enal
methyl 5-(2h-1,3-benzodioxol-5-yl)penta-2,4-dienoate
(1r,2s)-3-chloro-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
2,7-dihydroxy-8-methoxy-6-methylnaphthalene-1-carbaldehyde
methyl 5-hydroxy-4-methoxynaphthalene-2-carboxylate
(3z,5s,6e,9s,10r)-8-chloro-5,9-dihydroxy-10-methyl-5,8,9,10-tetrahydrooxecin-2-one
5-hydroxy-3-(2-hydroxyethyl)-2-methylnaphthalene-1,4-dione
(2s,3s,3as,7as)-3-hydroxy-2-phenyl-2h,3h,3ah,7ah-furo[3,2-b]pyran-5-one
(1s,2r)-3-chloro-1-(4-hydroxy-3-methoxyphenyl)propane-1,2-diol
(12s)-8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one
4-hydroxy-7-(hydroxymethyl)furo[3,2-g]chromen-5-one
8-methoxy-12-methyl-4,11-dioxatricyclo[7.4.0.0³,⁷]trideca-1(9),2,5,7-tetraen-10-one
1-[5-(hept-5-en-1,3-diyn-1-yl)thiophen-2-yl]ethane-1,2-diol
3-hydroxy-2-phenyl-2h,3h,3ah,7ah-furo[3,2-b]pyran-5-one
1-[6-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-1-benzofuran-5-yl]ethanone
methyl 2-[(2e)-3h-1,3-benzothiazol-2-ylidene]-2-cyanoacetate
(1r,7ar)-1-(furan-3-yl)-7a-methyl-1h,6h,7h-cyclopenta[c]pyran-3,5-dione
(5z)-5-[(2s,3r)-2,3-dihydroxy-3-phenylpropylidene]furan-2-one
2-{2-methoxy-4-[(1e)-3-oxoprop-1-en-1-yl]phenoxy}prop-2-enal
(2s)-2-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-methylcyclopent-4-ene-1,3-dione
(1s)-1,6-dihydroxy-8-methyl-1h,2h,3h-cyclopenta[c]isochromen-5-one
5-{[(4-hydroxyphenyl)methoxy]methyl}furan-2-carbaldehyde
1-(1,6,8-trihydroxy-3-methylnaphthalen-2-yl)ethanone
5-hydroxy-2-[(2s)-2-hydroxypropyl]naphthalene-1,4-dione
2-(6-acetyl-5-hydroxy-2,3-dihydro-1-benzofuran-2-yl)prop-2-enal
(1s)-1,8-dihydroxy-6-methyl-1h,2h,3h-cyclopenta[b]chromen-9-one
deca-3,6,9-trien-1-yloxysulfonic acid
C10H16O4S (232.07692559999998)