Exact Mass: 304.1111
Exact Mass Matches: 304.1111
Found 500 metabolites which its exact mass value is equals to given mass value 304.1111,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Vicine
Vicine is a glycoside. Vicine is a natural product found in Momordica charantia, Vicia faba, and Vicia narbonensis with data available. Isolated from Vicia faba and other legumes. Vicine is found in bitter gourd, pulses, and broad bean. Vicine is found in bitter gourd. Vicine is isolated from Vicia faba and other legumes. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1]. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1].
6-Methoxy-alpha-pyrufuran
6-Methoxy-alpha-pyrufuran is found in fruits. 6-Methoxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 6-Methoxy-alpha-pyrufuran is found in medlar and fruits.
2'-Deoxymugineic acid
Isolated from wheat (Triticum aestivum). 2-Deoxymugineic acid is found in many foods, some of which are pot marjoram, kumquat, ginger, and pineappple sage. 2-Deoxymugineic acid is found in cereals and cereal products. 2-Deoxymugineic acid is isolated from wheat (Triticum aestivum).
Diazinon
Nonsystemic insecticide for rice and fruit trees. Cholinesterase inhibitor. Diazinon is used against animal ectoparasite Nonsystemic insecticide for rice and fruit trees. Cholinesterase inhibitor. It is used against animal ectoparasites. D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Same as: D07856 CONFIDENCE standard compound; EAWAG_UCHEM_ID 293 CONFIDENCE standard compound; INTERNAL_ID 4006 CONFIDENCE standard compound; INTERNAL_ID 8779 CONFIDENCE standard compound; INTERNAL_ID 3124
Dexrazoxane hydrochloride
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
(R)-Heraclenol
9-(2,3-dihydroxy-3-methylbutoxy)-7-furo[3,2-g][1]benzopyranone is a member of psoralens. 9-(2,3-Dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one is a natural product found in Angelica dahurica with data available. (R)-Heraclenol is found in herbs and spices. (R)-Heraclenol is obtained from roots of Angelica specie obtained from roots of Angelica subspecies (R)-Heraclenol is found in herbs and spices.
Indole-3-acetylglutamic acid
Indole-3-acetylglutamic acid belongs to the class of organic compounds known as glutamic acid and derivatives. Glutamic acid and derivatives are compounds containing glutamic acid or a derivative thereof resulting from the reaction of glutamic acid at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Indole-3-acetylglutamic acid is an extremely weak basic (essentially neutral) compound (based on its pKa). Indole-3-acetylglutamic acid is a constituent of various plant species including soybean (Glycine max) and pulses.
3'-O-methyl-(-)-epicatechin
3-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.
2-{9-hydroxy-2-oxo-2H,8H,9H-furo[2,3-h]chromen-8-yl}propan-2-yl acetate
4'-O-methyl-(-)-epicatechin
4-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin.
2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine
2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is found in nuts. 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is formed by reaction of ammonia on glucose. 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is present in ammonia caramels, soy sauce, roasted peanuts and flue-cured tobacco leave 2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine is formed by reaction of ammonia on glucose. It is found in ammonia caramels, soy sauce, roasted peanuts and flue-cured tobacco leaves.
Fonsecin B
Fonsecin B is a mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius. Mycotoxin from a mutant of Aspergillus fonsecaeus also known as Aspergillus carbonarius.
4-Methyl-epicatechin
4-methyl-epicatechin is a cocoa and Tea metabolite found in plasma.
3-Methyl-epicatechin
3-methyl-epicatechin is one of the cocoa and tea metabolites.
4'-O-Methylcatechin
4-O-Methylcatechin is found in chinese cinnamon. 4-O-Methylcatechin is a constituent of Chinese cinnamon (Cinnamomum cassia) Constituent of Chinese cinnamon (Cinnamomum cassia). 4-Methylcatechin is found in chinese cinnamon and herbs and spices.
Arachidoside
Arachidoside is found in nuts. Arachidoside is isolated from shells of peanuts (Arachis hypogaea). Isolated from shells of peanuts (Arachis hypogaea). Arachidoside is found in nuts.
Deoxyfructosazine
Deoxyfructosazine is formed by reaction of ammonia and glucose. Deoxyfructosazine is present in ammonia caramels, soy sauce and roasted peanuts. Formed by reaction of ammonia and glucose. Present in ammonia caramels, soy sauce and roasted peanuts
3'-O-Methylcatechin
3-O-Methylcatechin is a constituent of Pinus sylvestris (Scotch pine). 3-O-Methylcatechin is a flavonoid metabolite. C78276 - Agent Affecting Digestive System or Metabolism > C29701 - Anti-ulcer Agent D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents Constituent of Pinus sylvestris (Scotch pine) D004791 - Enzyme Inhibitors
2-Methoxy-5,7,3',4'-tetrahydroxyflavan
D005765 - Gastrointestinal Agents > D000897 - Anti-Ulcer Agents D004791 - Enzyme Inhibitors
Protosappanin B
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
2-(3,4-Dihydroxyphenyl)-2-methyl-3,4-dihydrochromene-3,5,7-triol
Histamine-betaxanthin
aviprin
Oxypeucedanin hydrate is a furanocoumarin. It has a role as a metabolite. Oxypeucedanin hydrate is a natural product found in Ferulago sylvatica, Ferula syreitschikowii, and other organisms with data available. A natural product found in Peucedanum ostruthium. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1].
ProtosappaninB
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
Oxypeucedan
(-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1].
Protosappanin
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1H-anthracene-9,10-dione
3-[(3,4-dihydroxyphenyl)methyl]-2,4-dihydrochromene-3,4,7-triol
4,2,4,beta-Tetrahydroxy-6-methoxydihydrochalcone
Dysiherbaine
A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and methylamino groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6S,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea that has high affinity for kainate ionotropic glutamate receptors.
(-)-3-[2-(Acetyloxy)propyl]-2-hydroxy-8-methoxy-1,4-naphthoquinone
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4-one
Catechin 4-methyl ether
Catechin-3-methyl ether
2-{2-[4-(3-Cyano-2-pyridinyl)piperazino]-2-oxoethoxy}acetic acid
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one
4-methoxy-6-(11,12-methylenedioxy-14-methoxydihydrostyryl)-2-pyrone
Oxypeucedanin hydrate
(-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. (-)-Oxypeucedanin hydrate ((-)-Prangol) is a derivative of furocoumarin isolated from Ducrosia anethifolia[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1]. Oxypeucedanin hydrate ((+)-Oxypeucedanin hydrate) is a natural product isolated from D. anethifolia. Prangol exhibits mild toxicity on fibroblasts and parental lymphoma cells[1].
2-(trans-1,4-dihydroxy-2-cyclohexenyl)-5-hydroxy-7-methoxychromone
(2S,1S)-2,3-dihydro-2-(2-acetoxy-1-hydroxymethylethyl)-7H-furo<3,2-g><1>benzopyran-7-one|(2S,1S)-2,3-dihydro-2-(1-hydroxy-2-acetyloxy-1-methylethyl)-7H-furo[3,2-g][1]benzopyran-7-one|dorsteniol monoacetate
6-methoxy-4,2,4,beta-tetrahydroxy-alpha,beta-dihydrochalcone
Protosappanin B
Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2]. Protosappanin B is a phenolic compound extracted from Caesalpinia sappan. Anti-cancer activity[1]. Protosappanin B induces apoptosis and causes G1 cell cycle arrest in human bladder cancer cells[2].
(3R)-(-) 1-deoxyaustrocortirubin|1-deoxyaustrocortirubin|Deoxyaustrocortirubin
(R)-3-(allylthio)-2-((R)-3-(allylthio)-2-aminopropanamido)propanoic acid
(2S,6R)-6-hydroxy-2,4-dimethoxy-6-methyl-3H-spiro[benzofuran-2,1-cyclohex[2]ene]-3,4-dione|6-O-desmethyldechlorogriseofulvin|griseofulvin microcrystalline
1-Hydroxy-3-methyl-7,9-dimethoxy-3,4-dihydro-1H-naphtho[2,3-c]pyran-5,10-dione
3,7-Dihydroxy-2,5-dimethoxy-6-methylspiro(benzofuran-2(3H),1-(2,5)cyclohexadien)-4-one
3-[[4,5-dihydroxy-2(hydroxymethyl)phenyl]-methyl]-2,3-dihydro-3,6-benzofurandiol
(1Z,3E,9Z)-15-acetoxy-1-chlorohexadeca-5,7-diyne-1,3,9-triene
2-Hydroxy-3-(2-acetoxypropyl)-8-methoxy-1,4-naphthoquinone
8-(2-Oxo-3-hydroxypropyl)-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one
METHYL 7-DESOXYPURPUROGALLIN-7-CARBOXYLATE TRIMETHYL ETHER
9-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
3-hydroxy-6-(2-methyl-4-oxochromen-5-yl)-5-oxohexanoic acid
(2,6-dihydroxy-4-methoxyphenyl)-(4-hydroxy-2-methoxy-6-methylphenyl)methanone
4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid
8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate
C16H16O6_4-Hydroxy-2,6-dimethoxy-6-methyl-3H,4H-spiro[1-benzofuran-2,1-cyclohex[2]ene]-3,4-dione
C13H20O6S_2-Hydroxy-3-[(10-methyl-2,7-dioxo-5-oxecanyl)sulfanyl]propanoic acid
4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one [IIN-based on: CCMSLIB00000847150]
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based on: CCMSLIB00000847188]
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based on: CCMSLIB00000847853]
2-hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulfanylpropanoic acid [IIN-based: Match]
8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based on: CCMSLIB00000847549]
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) acetate [IIN-based: Match]
8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one [IIN-based: Match]
4-(2,3-dihydroxy-3-methylbutoxy)furo[3,2-g]chromen-7-one [IIN-based: Match]
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one_minor
4-(2,3-Dihydroxy-3-methylbutoxy)furo(3,2-g)chromen-7-one_major
Asp Gly Gly Gly
Gly Asp Gly Gly
Lificiguat
C78274 - Agent Affecting Cardiovascular System > C29707 - Vasodilating Agent D006401 - Hematologic Agents > D010975 - Platelet Aggregation Inhibitors D020536 - Enzyme Activators
4-O-methyl-(-)-epicatechin
A catechin that is (-)-epicatechin in which the hydroxy group at position 4 is replaced by a methoxy group. It is a metabolite of (-)-epicatechin.
4-Methyl-epicatechin
3-Methyl-epicatechin
2-(1,2,3,4-Tetrahydroxybutyl)-6-(2,3,4-trihydroxybutyl)pyrazine
(2-fluorophenyl)-[4-(2-phenylethyl)phenyl]methanone
3-((2-ETHOXY-3,4-DIOXOCYCLOBUT-1-EN-1-YL)AMINO)-2-HYDROXY-N,N-DIMETHYLBENZAMIDE
5-(3-((TERT-BUTOXYCARBONYL)AMINO)PHENYL)ISOXAZOLE-3-CARBOXYLIC ACID
2-Naphthalenecarboxylicacid, 2-(4-methylbenzoyl)hydrazide
2-Naphthalenecarboxylicacid, 2-(2-methylbenzoyl)hydrazide
3-(2-NAPHTHALEN-1-YL-[1,3]DITHIAN-2-YL)-PROPAN-1-OL
(S)-TERT-BUTYL2,2-DIMETHYL-4-(2-OXOETHYL)OXAZOLIDINE-3-CARBOXYLATE
Pyridine,2,2-[1,2-ethanediylbis(thio-2,1-ethanediyl)]bis-
1-(1(2H)-acenaphthylenylidene)-1,2-dihydroacenaphthylene
4,4,5,5-TETRAMETHYL-2-(4-((TRIFLUOROMETHYL)THIO)PHENYL)-1,3,2-DIOXABOROLANE
(1R,2S,5R)-2-ISOPROPYL-5-METHYLCYCLOHEXYL 4-BROMOBUTANOATE
1-(2,2-dimethoxyethyl)-6-oxo-2-phenylpyrimidine-5-carboxylic acid
((4-((4-METHOXYPHENYL)ETHYNYL)PHENYL)ETHYNYL)TRIMETHYLSILANE
LOXOPROFEN SODIUM SALT
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents
3-(1-phenyl-3-p-tolyl-1h-pyrazol-4-yl)-acrylic acid
Cerulignone
5-(5-(ETHOXYCARBONYL)-3-METHYL-1H-PYRAZOL-1-YL)-2-METHOXYBENZOIC ACID
mannomustine
D000970 - Antineoplastic Agents > D018906 - Antineoplastic Agents, Alkylating > D009588 - Nitrogen Mustard Compounds C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C2842 - DNA Binding Agent D009676 - Noxae > D000477 - Alkylating Agents
Tricyclo[6.4.0.0(2,7)]dodecane-1,2,7,8-tetracarboxylic Dianhydride
2-Naphthalenecarboxylicacid, 2-(3-methylbenzoyl)hydrazide
2,3-Naphthalenedicarboxylicacid, 1,4-dihydroxy-, 2,3-diethyl ester
benzyl 2-(3-amino-1,2,4-thiadiazol-5-yl)pyrrolidine-1-carboxylate
2,4,8,10-tetraoxaspiro[5.5]undecane-3,9-dipropionic acid
4-hydroxy-3-(α-iminobenzyl)-1-methyl-6-phenylpyridin-2(1h)-one
4-(Bis(4-hydroxyphenyl)methylene)-2-methyl-2,5-cyclohexadien-1-one
[4-(4-fluoro-phenyl)-piperazin-1-yl]-furan-2-yl-acetic acid
Polyethylene-polypropylene glycol
Isolated from Foeniculum vulgare (fennel). (±)-threo-1-(p-Hydroxyphenyl)propylene glycol 4-glucoside is found in herbs and spices. It is used as a food additive .
Methyl 4-(2,3-dihydroxy-5-methylphenoxy)-2-hydroxy-6-methylbenzoate
(2Z)-N-biphenyl-4-yl-2-cyano-3-cyclopropyl-3-hydroxyprop-2-enamide
(2r,3ar,6s,7r,7ar)-2-[(2s)-2-Amino-2-Carboxyethyl]-6-Hydroxy-7-(Methylamino)hexahydro-2h-Furo[3,2-B]pyran-2-Carboxylic Acid
4-(1,3-benzodioxol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
2-(3,4-Dimethoxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
2-[[6-Amino-2-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]ethanol
Nygerone B
A member of the class of 4-pyridones that is N-phenylpyridin-4-one which is substituted by a benzyl group at position 2 and an aminocarbonyl group at position 5. It has been isolated from Aspergillus niger ATCC 1015.
N-[2-(3-pyridinyl)-3H-benzimidazol-5-yl]-2-furancarboxamide
3,4-Dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester
3-[(2,2-Dimethylpropanoyl)amino]-N-1,3-Thiazol-2-Ylpyridine-2-Carboxamide
2-Oxy-4-Hydroxy-5-(2-Hydrazinopyridine)Phenylalanine
diazinon
D018377 - Neurotransmitter Agents > D018678 - Cholinergic Agents > D002800 - Cholinesterase Inhibitors D010575 - Pesticides > D007306 - Insecticides D004791 - Enzyme Inhibitors D016573 - Agrochemicals Same as: D07856
3'-O-methyl-(-)-epicatechin
3-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin. A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4'-O-methyl-(-)-epicatechin
4-O-methyl-(-)-epicatechin is an urinary and gut-derived metabolite of epicatechin. A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-Hydroxy-3,6-dimethoxy-5-methylspiro[1-benzouran-2,4-cyclohex-2-ene]-1,3-dione
2-(9-Hydroxy-2-oxo-8,9-dihydrouro[2,3-h]chromen-8-yl)propan-2-yl acetate
2-Hydroxy-3,4,6,9-tetramethoxydibenzofuran
A natural product found in Rhaphiolepis indica var. tashiroi.
3,4,6-Trimethoxy-5-oxo-8-benzo[7]annulenecarboxylic acid methyl ester
10,2-Dihydroxy-4,5-methylenedioxy-isoflav-8-ene-7-one
(2S)-1-[(3S)-3-carboxy-3-[(3-carboxy-3-hydroxypropyl)amino]propyl]azetidine-2-carboxylic acid
Zinecard
D000970 - Antineoplastic Agents > D059003 - Topoisomerase Inhibitors > D059005 - Topoisomerase II Inhibitors D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D054659 - Diketopiperazines D020011 - Protective Agents > D002316 - Cardiotonic Agents D002317 - Cardiovascular Agents D004791 - Enzyme Inhibitors
1-(3,3-Dimethylbutan-2-yl)-3-[3-(trifluoromethyl)phenyl]thiourea
3-(2-Furanylmethyl)-2-phenyl-1,2-dihydroquinazolin-4-one
2-methoxy-N-(2-pyridinylmethyl)-3-dibenzofuranamine
N2-(2-furanylmethyl)-5-nitro-6-(1-pyrrolidinyl)pyrimidine-2,4-diamine
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methyl-3-pyrazolecarboxamide
2-Hydroxy-3-(10-methyl-2,7-dioxooxecan-5-yl)sulanylpropanoic acid
1-Azepanecarboxylic acid (7-chloro-4-quinolinyl) ester
1-(3,4-Dimethoxyphenyl)-3-(2-fluoro-5-methylphenyl)urea
N-[(phenacylamino)-sulfanylidenemethyl]cyclohexanecarboxamide
N-[2-[3-(ethylthio)-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]propanamide
2,3,4,5,6-pentamethyl-N-pyridin-3-ylbenzenesulonamide
N~2~-[3-(3-hydroxy-2-quinoxalinyl)propanoyl]-L-serinamide
2-[(4S)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate
2-[(4R)-4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl]-5-methoxymethylnicotinate
3-(4-Methoxyphenyl)-1-(2,3,4,6-tetrahydroxyphenyl)propan-1-one
2-methyl-1-(pyrazin-2-ylmethyl)-1H-naphtho[2,3-d]imidazole-4,9-dione
3,4,5-Trimethoxy-2-methylsulfonylmethylbenzyl methyl ether
3-Hydroxy-6-(2-methyl-4-oxochromen-5-yl)-5-oxohexanoic acid
3-(4-Hydroxyphenyl)-5,9-diaza-14-azoniatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,8(15),10-pentaen-7-one
Vicine
Vicine is a glycoside. Vicine is a natural product found in Momordica charantia, Vicia faba, and Vicia narbonensis with data available. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1]. Vicine, an alkaloid glycoside found mainly in fava beans, is toxic in individuals and may cause haemolytic anaemia[1].
Fonsecin B
A naphtho-gamma-pyrone that is fonsecin in which the hydroxy group at position 8 (meta to the methoxy group) has been converted to the corresponding methyl ether. Found in Aspergillus fonsecaeus.
1-[6-(2,3,4-trihydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
(+)-catechin-3-methyl ether
A member of the class of catechins that is (+)-catechin in which the hydroxy group at position 3 has been replaced by a methoxy group. It is a metabolite of (+)-catechin, a major polyphenol found in several fruits and vegetables.
N-(Indole-3-acetyl)glutamic acid
An indoleacetic acid amide conjugate obtained by formal condensation of the carboxy group of indole-3-acetic acid with the amino group of glutamic acid.
1-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-3-formylcyclohex-3-ene-1-carboxylic acid
[2-(1h-indol-3-ylmethyl)-1h-indol-3-yl]acetic acid
2-hydroxy-6-[hydroxy(2-hydroxy-4-methoxyphenyl)methylidene]-2,5-dimethylcyclohex-4-ene-1,3-dione
(5as,6s,10ar)-10a-hydroxy-2-methyl-3-methylidene-1,4-dioxo-5ah,6h,10h-pyrazino[1,2-a]indol-6-yl acetate
5,10-dihydroxy-7-isopropyl-11-methoxy-10-methyl-2-oxatricyclo[6.3.1.0⁴,¹²]dodeca-1(11),4,6,8(12)-tetraene-3,9-dione
2-(3-hydroxy-4-methoxybenzoyl)-3,5-dimethoxyphenol
n-{1-[3-(methylsulfanyl)prop-2-enoyl]pyrrolidin-2-yl}-2-phenylethanimidic acid
2-hydroxy-4-isopropyl-7-methoxy-6-methyl-5,8-dioxonaphthalene-1-carboxylic acid
4-[2-(2,5-dihydroxyphenyl)-2-oxoethyl]-5-hydroxy-6-methylidene-2-oxabicyclo[2.2.2]octan-3-one
methyl 4,8-dihydroxy-6-methyl-9-oxo-4,9a-dihydro-1h-xanthene-4a-carboxylate
4a,7-dihydroxy-3-(3-hydroxyprop-1-en-2-yl)-1,2,3,9a-tetrahydroxanthene-4,9-dione
3-hydroxy-9-methyl-8,17-dioxatricyclo[12.2.1.0⁵,¹⁶]heptadeca-1,3,5(16)-triene-7,12,15-trione
(1r,3r)-1,3,8-trihydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
6,8-dihydroxy-7-methoxy-2,3,3-trimethyl-2h-naphtho[2,3-b]furan-4,9-dione
(4r)-4,10,11-trihydroxy-8-methoxy-4-methyl-3h,5h-naphtho[2,3-c]oxepin-1-one
2-(4-hydroxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
(1r,2r,3s)-2-(2,5-dihydroxybenzoyl)-3-(3-oxoprop-1-en-2-yl)cyclopentane-1-carboxylic acid
(2r,3r)-2-(2,5-dihydroxyphenyl)-7-methoxy-3,4-dihydro-2h-1-benzopyran-3,5-diol
methyl 4,8-dihydroxy-3-methyl-9-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
(3ar,4r,6ar,8s,9ar,9br)-4-hydroxy-3,6,9-trimethylidene-2-oxo-octahydroazuleno[4,5-b]furan-8-yl acetate
3-methoxy-4-acetoxycinnamyl angelate
{"Ingredient_id": "HBIN008795","Ingredient_name": "3-methoxy-4-acetoxycinnamyl angelate","Alias": "[(E)-3-(4-acetyloxy-3-methoxyphenyl)prop-2-enyl] (Z)-2-methylbut-2-enoate; AC1NSY0P; (Z)-2-Methyl-2-butenoic acid [(E)-3-(4-acetoxy-3-methoxyphenyl)-2-propenyl] ester","Ingredient_formula": "C17H20O5","Ingredient_Smile": "CC=C(C)C(=O)OCC=CC1=CC(=C(C=C1)OC(=O)C)OC","Ingredient_weight": "304.34 g/mol","OB_score": "62.579199","CAS_id": "NA","SymMap_id": "SMIT00843","TCMID_id": "13821","TCMSP_id": "MOL012163","TCM_ID_id": "NA","PubChem_id": "5319394","DrugBank_id": "NA"}
(3R)-3, 8'-dihydroxyvestitol
{"Ingredient_id": "HBIN009502","Ingredient_name": "(3R)-3, 8'-dihydroxyvestitol","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "COC1=C(C(=C(C=C1)C2CC3=C(C(=C(C=C3)O)O)OC2)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "42066","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
3' (s)-acetoxy-4'(r)-hydroxy-3',4'-dihydro-xanthyletin
{"Ingredient_id": "HBIN009714","Ingredient_name": "3' (s)-acetoxy-4'(r)-hydroxy-3',4'-dihydro-xanthyletin","Alias": "3'(s)-acetoxy-4'(r)-hydroxy-3',4'-dihydro-xanthyletin","Ingredient_formula": "C16H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT14123","TCMID_id": "213","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide; (4α,8β)-form,ac
{"Ingredient_id": "HBIN010429","Ingredient_name": "4-hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide; (4\u03b1,8\u03b2)-form,ac","Alias": "NA","Ingredient_formula": "C17H20O5","Ingredient_Smile": "NA","Ingredient_weight": "304.34","OB_score": "NA","CAS_id": "144841-05-4","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7838","PubChem_id": "NA","DrugBank_id": "NA"}
4-hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide; (4β,8β)-form,ac
{"Ingredient_id": "HBIN010430","Ingredient_name": "4-hydroxy-1-oxo-2,11(13)-eudesmadien-12,8-olide; (4\u03b2,8\u03b2)-form,ac","Alias": "NA","Ingredient_formula": "C17H20O5","Ingredient_Smile": "NA","Ingredient_weight": "304.34","OB_score": "NA","CAS_id": "144841-04-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7837","PubChem_id": "NA","DrugBank_id": "NA"}
4-methoxy-6-(11,12-methylenedioxy-14-methoxydihydrostyryl)-2-pyrone
{"Ingredient_id": "HBIN010616","Ingredient_name": "4-methoxy-6-(11,12-methylenedioxy-14-methoxydihydrostyryl)-2-pyrone","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14011","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
(4s,4ar,9ar)-4a-carbomethoxy-1,4,4a,9a-tetra-3',6-dihydroxy-2,4,4'-trimethoxybenzophenone
{"Ingredient_id": "HBIN010883","Ingredient_name": "(4s,4ar,9ar)-4a-carbomethoxy-1,4,4a,9a-tetra-3',6-dihydroxy-2,4,4'-trimethoxybenzophenone","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "CC1=CC2=C(C(=C1)O)C(=O)C3CC=CC(C3(O2)C(=O)OC)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "6157","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)-4h-1-benzopyran-4-one
{"Ingredient_id": "HBIN013258","Ingredient_name": "7-hydroxy-8-(3-hydroxy-2-oxopropyl)-5-methyl-2-(2-oxopropyl)-4h-1-benzopyran-4-one","Alias": "NA","Ingredient_formula": "C16H16O6","Ingredient_Smile": "NA","Ingredient_weight": "304.29","OB_score": "NA","CAS_id": "188625-45-8","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7444","PubChem_id": "NA","DrugBank_id": "NA"}
8α-acetoxyarglabin
{"Ingredient_id": "HBIN013618","Ingredient_name": "8\u03b1-acetoxyarglabin","Alias": "NA","Ingredient_formula": "C17H20O5","Ingredient_Smile": "CC1=CCC23C1C4C(C(CC2(O3)C)OC(=O)C)C(=C)C(=O)O4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "124","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
