Exact Mass: 502.1394
Exact Mass Matches: 502.1394
Found 465 metabolites which its exact mass value is equals to given mass value 502.1394
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
6'-O-Malonyldaidzin
Present in soy foods; potential nutriceutical. 6-Malonyldaidzin is found in many foods, some of which are soy milk, soy sauce, soy bean, and soy yogurt. 6-O-Malonyldaidzin is found in miso. 6-O-Malonyldaidzin is present in soy foods; potential nutriceutical.
Fluvalinate
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
beta-Fabatriose
tau-fluvalinate
CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5116; ORIGINAL_PRECURSOR_SCAN_NO 5114 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5808; ORIGINAL_PRECURSOR_SCAN_NO 5805 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5095; ORIGINAL_PRECURSOR_SCAN_NO 5094 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5162; ORIGINAL_PRECURSOR_SCAN_NO 5161 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX499; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5136; ORIGINAL_PRECURSOR_SCAN_NO 5134 CONFIDENCE standard compound; INTERNAL_ID 379; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5838; ORIGINAL_PRECURSOR_SCAN_NO 5836
Limonexic acid
Constituent of Citrus subspecies Limonexic acid is found in sweet orange and citrus. Limonexic acid is found in citrus. Limonexic acid is a constituent of Citrus species
Garciduol B
Garciduol B is found in fruits. Garciduol B is a constituent of Garcinia dulcis (mundu). Constituent of Garcinia dulcis (mundu). Garciduol B is found in fruits.
Clozapine glucuronide
Clozapine glucuronide is a metabolite of clozapine. Clozapine (sold as Clozaril, Gen-Clozapine in Canada, Azaleptin, Leponex, Fazaclo, Froidir; Denzapine, Zaponex in the UK; Klozapol in Poland, Clopine in Australia and New Zealand) is an atypical antipsychotic medication used in the treatment of schizophrenia, and is also used off-label in the treatment of bipolar disorder. Wyatt. R and Chew. (Wikipedia)
5-S-glutathionyl-L-DOPA
5-S-glutathionyl-L-DOPA is classified as a member of the Oligopeptides. Oligopeptides are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds. 5-S-glutathionyl-L-DOPA is considered to be practically insoluble (in water) and acidic
Adozelesin
Inolitazone
C274 - Antineoplastic Agent > C2122 - Cell Differentiating Agent > C1934 - Differentiation Inducer D000970 - Antineoplastic Agents
2-[4-[2-(1H-Benzimidazol-2-ylsulfanyl)ethyl]piperazin-1-yl]-N-[6-methyl-2,4-bis(methylsulfanyl)pyridin-3-yl]acetamide
D000963 - Antimetabolites > D000960 - Hypolipidemic Agents > D054872 - Fatty Acid Synthesis Inhibitors D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites D004791 - Enzyme Inhibitors
(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
Asp f I
Apigenin 7-(2-acetyl-6-methylglucuronide)
Demethoxyisogemichalcone C
1-O-(E)-p-coumaroyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-p-coumaroyl-[beta-(1->2)-glucuronosyl]-beta-glucose
(2R,4S)-6,8-dimethyl-7-hydroxy-4-methoxy-4,2-oxidoflavan-5-O-beta-D-6-O-acetylglucopyranoside
apigenin 7-O-beta-D-glucuronopyranoside butyl ester|Apigenin-7-O-??-D-glucuronide butyl ester
Syringaresil diacetate
A lignin that is the diacetate ester of syringylresinol.
(2S,4S)-6,8-dimethyl-7-hydroxy-4-methoxy-4,2-oxidoflavan-5-O-beta-D-3-O-acetyl-glucopyranoside|abacopterin B
9,10-Anthracenedione, 8-[[6-O-(2-carboxyacetyl)-beta-D-glucopyranosyl]oxy]-1-hydroxy-3-methyl-
(11beta)-21,23-dihydro-11,21-dihydroxy-23-oxoobacunone|21,23-dihydro-21-hydroxy-23-oxozapoterin
3beta-acetoxy-8alpha-(4,5-diacetoxyangeloyloxy)-eremanthin|3beta-acetoxy-8alpha-<4,5-diacetoxyangeloyloxy>-eremanthin
6,7-(di-beta-D-glucopyranosyloxy)-2H-1-benzopyran-2-one|6,7-di-O-beta-D-glucopyranosylesculetin|6,7-di-O-glucopyranosylaesculetin
Bis-((E)-4-hydroxy-3,5-dimethoxy-benzyliden)-bernsteinsaeure-diaethylester|bis-((E)-4-hydroxy-3,5-dimethoxy-benzylidene)-succinic acid diethyl ester|diethyl (E,E)-2,3-bis(3,5-dimethoxy-4-hydroxybenzylidene)succinate|Phebalarin
8-acetoxy-2,2,6-trimethoxy-3,4,4,5-methylenedioxyphenyl-7,7-dioxabicyclo[3.3.0]octane
1-O-(4-Caffeoyl)-beta-glucopyranosyl-1,4-dihydroxy-2-(3,3-dimethylallyl)benzene|1-O-(4-O-caffeoyl)-beta-glucopyranosyl-2-(3,3-dimethylallyl) hydroquinone|1-O-(4-O-caffeoyl-beta-glucopyranosyl)-1,4-dihydroxy-2-(3,3-dimethylallyl)benzene
4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(4-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate
4-(4,6-dimethoxy-1,3-benzodioxol-5-yl)dihydro-1-(6-methoxy-1,3-benzodioxol-5-yl)-1H,3H-furo[3,4-c]furan-3a(4H)-yl acetate
6-O-apio-beta-furanosyl-[5-O-(trans-dimethoxycinnamic acid)]-alpha/beta-glucopyranoside
7-O-beta-D-apiofuranosyl-(1?6)-beta-D-glucopyranosyl-8-hydroxy-6-methoxycoumarin|nitensoside A
10-O-(4-O-methylsuccinoyl)geniposide|[(1S,4aS,7aS)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-4-(methoxycarbonyl)-cyclopenta[c]pyran-7-yl]methyl methyl butanedioate
3-[(4-O-caffeoyl-beta-D-glucopyranosyloxy)methyl]-2,5-dimethoxy-3-hydroxytetrahydrofuran|cibotiumbaroside B
Di-O-beta-D-glucopyranoside3,7-Dihydroxy-4H-1-benzopyran-4-one
7-O-[6-O-(3,4-dihydroxycinnamoyl)-beta-D-glucopyranosyl]-8-hydroxycoumarin
3-[??-Hydroxymethyl-(E)-??-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-coumarate|isogemichalcone B
13-hydroxy-7-(6-O-sulfate-beta-D-glucopyranosyl)desoxyhemigossypol
(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl 6-O(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside|clemomandshuricoside B
Isolimonexin
Isolimonexic acid is a natural product found in Glycosmis parva, Citrus nippokoreana, and other organisms with data available.
Ala Cys Phe Tyr
Ala Cys Tyr Phe
Ala Phe Cys Tyr
Ala Phe Tyr Cys
Ala Tyr Cys Phe
Ala Tyr Phe Cys
Cys Ala Phe Tyr
Cys Ala Tyr Phe
Cys Cys Asp Tyr
Cys Cys Phe Met
Cys Cys Met Phe
Cys Cys Tyr Asp
Cys Asp Cys Tyr
Cys Asp Glu His
Cys Asp His Glu
Cys Asp Tyr Cys
Cys Glu Asp His
Cys Glu His Asp
Cys Phe Ala Tyr
Cys Phe Cys Met
Cys Phe Phe Ser
Cys Phe Met Cys
Cys Phe Ser Phe
Cys Phe Tyr Ala
Cys His Asp Glu
Cys His Glu Asp
Cys Met Cys Phe
Cys Met Phe Cys
Cys Met Ser Tyr
Cys Met Tyr Ser
Cys Ser Phe Phe
Cys Ser Met Tyr
Cys Ser Tyr Met
Cys Tyr Ala Phe
Cys Tyr Cys Asp
Cys Tyr Asp Cys
Cys Tyr Phe Ala
Cys Tyr Met Ser
Cys Tyr Ser Met
Asp Cys Cys Tyr
Asp Cys Glu His
Asp Cys His Glu
Asp Cys Tyr Cys
Asp Glu Cys His
Asp Glu His Cys
Asp His Cys Glu
Asp His Glu Cys
Asp His Met Thr
Asp His Thr Met
Asp Met His Thr
Asp Met Thr His
Asp Thr His Met
Asp Thr Met His
Asp Tyr Cys Cys
Glu Cys Asp His
Glu Cys His Asp
Glu Asp Cys His
Glu Asp His Cys
Glu His Cys Asp
Glu His Asp Cys
Glu His Met Ser
Glu His Ser Met
Glu Met His Ser
Glu Met Ser His
Glu Ser His Met
Glu Ser Met His
Phe Ala Cys Tyr
Phe Ala Tyr Cys
Phe Cys Ala Tyr
Phe Cys Cys Met
Phe Cys Phe Ser
Phe Cys Met Cys
Phe Cys Ser Phe
Phe Cys Tyr Ala
Phe Phe Cys Ser
Phe Phe Ser Cys
Phe Met Cys Cys
Phe Ser Cys Phe
Phe Ser Phe Cys
Phe Tyr Ala Cys
Phe Tyr Cys Ala
His Cys Asp Glu
His Cys Glu Asp
His Asp Cys Glu
His Asp Glu Cys
His Asp Met Thr
His Asp Thr Met
His Glu Cys Asp
His Glu Asp Cys
His Glu Met Ser
His Glu Ser Met
His Met Asp Thr
His Met Glu Ser
His Met Ser Glu
His Met Thr Asp
His Ser Glu Met
His Ser Met Glu
His Thr Asp Met
His Thr Met Asp
Met Cys Cys Phe
Met Cys Phe Cys
Met Cys Ser Tyr
Met Cys Tyr Ser
Met Asp His Thr
Met Asp Thr His
Met Glu His Ser
Met Glu Ser His
Met Phe Cys Cys
Met His Asp Thr
Met His Glu Ser
Met His Ser Glu
Met His Thr Asp
Met Ser Cys Tyr
Met Ser Glu His
Met Ser His Glu
Met Ser Tyr Cys
Met Thr Asp His
Met Thr His Asp
Met Tyr Cys Ser
Met Tyr Ser Cys
Ser Cys Phe Phe
Ser Cys Met Tyr
Ser Cys Tyr Met
Ser Glu His Met
Ser Glu Met His
Ser Phe Cys Phe
Ser Phe Phe Cys
Ser His Glu Met
Ser His Met Glu
Ser Met Cys Tyr
Ser Met Glu His
Ser Met His Glu
Ser Met Tyr Cys
Ser Tyr Cys Met
Ser Tyr Met Cys
Thr Asp His Met
Thr Asp Met His
Thr His Asp Met
Thr His Met Asp
Thr Met Asp His
Thr Met His Asp
Tyr Ala Cys Phe
Tyr Ala Phe Cys
Tyr Cys Ala Phe
Tyr Cys Cys Asp
Tyr Cys Asp Cys
Tyr Cys Phe Ala
Tyr Cys Met Ser
Tyr Cys Ser Met
Tyr Asp Cys Cys
Tyr Phe Ala Cys
Tyr Phe Cys Ala
Tyr Met Cys Ser
Tyr Met Ser Cys
Tyr Ser Cys Met
Tyr Ser Met Cys
Garciduol B
1-[5-Chloro-2-(trifluoromethyl)benzyl]-7-[6-(4-methyl-1-piperazin yl)-3-pyridinyl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine
Spirapril hydrochloride
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents
4-METHOXYPHENYL 2,4,6-TRI-O-ACETYL-3-O-BENZYL-BETA-D-GLUCOPYRANOSIDE
Phenyl 3,6-diazido-3,6-dideoxy-2,4-bis-O-(phenylmethyl)-1-thio-beta-D-glucopyranoside
Fisogatinib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C164035 - FGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C155727 - FGFR Inhibitor D000970 - Antineoplastic Agents
Capmatinib Hydrochloride
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor
Bis[5-chloro-1H-indol-2-YL-carbonyl-aminoethyl]-ethylene glycol
1-Hydroxy-2-S-glutathionyl-3-para-nitrophenoxy-propane
Malonyldaidzin
A glycosyloxyisoflavone that is daidzein substituted by a 6-O-(carboxyacetyl)-beta-D-glucopyranosyl residue at position 7 via a glycosidic linkage.
(2R)-2-amino-4-[4-[(1R)-2-[[(3S)-1-[(R)-carboxy-(4-hydroxyphenyl)methyl]-2-oxoazetidin-3-yl]amino]-1-(hydroxyamino)-2-oxoethyl]phenoxy]butanoic acid
(1S,3R,4R,5R)-1-[[(1R,2S)-2-(4-Chlorophenyl)cyclopropyl]methoxy]-3,4-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid
7-Methyl-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
abacopterin B
An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 3-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
abacopterin A
An organic heterotetracyclic compound resulting from cyclocondensation of the 4- and 5-hydroxy groups of (2S,4S)-2-(4-methoxyphenyl)-6,8-dimethylchromane-4,5,7-triol across the 1- and 2-positions of 6-O-acetyl-1,2-didehydro-D-glucose. A natural product found in Abacopteris penangiana.
3-(4-methylphenyl)-N-[3-(4-morpholinylsulfonyl)phenyl]-1-phenyl-4-pyrazolecarboxamide
[2-[(4-Fluorophenyl)methylamino]-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
2-Hydroxy-5-[(4-methoxyphenyl)sulfamoyl]benzoic acid [2-[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl] ester
N-[[4-[(2,6-difluorophenyl)sulfonylamino]cyclohexyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide
3-(4-{7-[(5-carboxypentyl)(ethyl)amino]-2-oxo-2H-chromen-3-yl}pyridinium-1-yl)propane-1-sulfonate
[(4R)-4-[2-(benzenesulfonyl)ethyl]-2-[4-(3-hydroxypropoxy)phenyl]-5H-oxazol-4-yl]-(4-morpholinyl)methanone
2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-[4-(2-methoxyphenyl)-1-triazolyl]ethyl]-3-oxanyl]-3-methoxybenzenesulfonamide
2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[(4-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N-(cyclopropylmethyl)acetamide
4-chloro-N-[(2R,3S)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3S)-4-[(2-chlorophenyl)methyl-[(2R)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
4-chloro-N-[(2S,3R)-4-[(2-chlorophenyl)methyl-[(2S)-1-hydroxypropan-2-yl]amino]-2-methoxy-3-methylbutyl]-N-methylbenzenesulfonamide
7-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,9-pentaen-11-one
4-Demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate
A ribonucleoside 5-monophosphate having (2S)-2-amino-4-(6-methyl-9-oxo-4,9-dihydro-3H-imidazo[1,2-a]purin-7-yl)butanoic acid as the nucleobase.
sodium[alpha-Kdo-(2->8)-alpha-Kdo-OAll II(1),I(7)-lactone]
7-[(3S)-3-azaniumyl-3-carboxylatopropyl]-6-methyl-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydro-9H-imidazo[1,2-a]purin-9-one
6-({3,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[4,5,6-trihydroxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl]oxyoxane-2-carboxylic acid
6-[(3-Carboxy-3-hydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propanoyl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
6-[1-(3,4-Dihydroxyphenyl)-3-(4-methoxy-1-benzofuran-5-yl)-1,3-dioxopropan-2-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid
1-[1-(2-chlorophenyl)-3-(pyridin-3-yl)-4,5-dihydro-1H-[1,3]thiazolo[4,5-g]indazol-7-yl]-3-(1H-imidazol-2-ylmethyl)urea
6-({4,5-Dihydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
6-({4,5-Dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[2,3,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-4-yl]oxyoxane-2-carboxylic acid
3,4,5-trihydroxy-6-[4-[(E)-3-oxo-3-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]prop-1-enyl]phenoxy]oxane-2-carboxylic acid
2-[(3-{4-[(6-Carboxy-3,4,5-trihydroxyoxan-2-yl)oxy]-3-methoxyphenyl}prop-2-enoyl)oxy]-3-hydroxybutanedioic acid
[1-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-3-propanoyloxypropan-2-yl] heptanoate
[3-[Hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxy-2-pentanoyloxypropyl] pentanoate
[1-Butanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] hexanoate
[1-Acetyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octanoate
Fluvalinate
D010575 - Pesticides > D007306 - Insecticides > D011722 - Pyrethrins D016573 - Agrochemicals
4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate zwitterion
An amino acid zwitterion obtained by transfer of a proton from the carboxy to the amino group of 4-demethyl-7-(3-amino-3-carboxypropyl)wyosine 5-monophosphate.
Arg-AMS
Arg-AMS (compound 24) is a potent nanomolar inhibitor of arginyl tRNA synthetase, which displays tightly bound inhibitory characteristics for the A-domains in non-ribosomal peptide synthetases (NRPS) enzymes[1].
GSK2647544
GSK2647544 is an orally available, selective inhibitor of Lp-PLA2. Lipoprotein-associated phospholipase (Lp-PLA2) is a calcium-independent phospholipase A2 with proinflammatory activities that is primarily secreted by monocyte-derived macrophages[1].
Naporafenib
Naporafenib (LXH254) is a potent, selective, orally active, type II BRAF and CRAF inhibitor, with IC50 values of 0.072 and 0.21 nM against CRAF and BRAF, respectively[1][2].
methyl (1s,2s,10r,12r,13s,15s,18s,19s,20r,21r)-12-hydroxy-7,7,13,18,21-pentamethyl-5,17-dioxo-6,11,14,16-tetraoxaspiro[hexacyclo[16.3.1.0³,⁸.0¹⁰,²¹.0¹²,²⁰.0¹⁵,¹⁹]docosane-2,2'-oxirane]-3,8-diene-20-carboxylate
methyl (1r,3s,4r,7r,8s,11s,12s,15s,16s)-16-(furan-3-yl)-12-hydroxy-4,9,9,15-tetramethyl-5,10,18-trioxo-2,6,17-trioxapentacyclo[10.7.0.0¹,¹⁵.0³,¹¹.0⁴,⁸]nonadecane-7-carboxylate
3,22-dimethoxy-13-methyl-12-methylidene-5,7,18,20-tetraoxapentacyclo[13.7.0.0²,¹⁰.0⁴,⁸.0¹⁷,²¹]docosa-1(22),2(10),3,8,15,17(21)-hexaen-11-yl benzoate
3-oxo-3-{[(2r,3s,4r,5r,6s)-3,4,5-trihydroxy-6-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]oxan-2-yl]methoxy}propanoic acid
(1r,2r,7s,10r,13r,14r,20s)-19-(2-hydroxy-5-oxo-2h-furan-3-yl)-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione
(2r,3s,4r,5r,6r)-4,5-dihydroxy-6-{[(2r,3s,5s)-3-hydroxy-2,5-dimethoxyoxolan-3-yl]methoxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(1s,3as,4s,6as)-4-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-1-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
{7-[(acetyloxy)methyl]-8-(4-hydroxy-3,5-dimethoxyphenyl)-9-methoxy-2h,5h,6h,7h,8h-naphtho[2,3-d][1,3]dioxol-6-yl}methyl acetate
(1r,3ar,4s,6as)-1-(4,6-dimethoxy-2h-1,3-benzodioxol-5-yl)-4-(6-methoxy-2h-1,3-benzodioxol-5-yl)-tetrahydro-1h-furo[3,4-c]furan-3a-yl acetate
10-hydroxy-7-(5-hydroxy-2-oxo-5h-furan-3-yl)-1,8,12,17,17-pentamethyl-3,6,16-trioxapentacyclo[9.9.0.0²,⁴.0²,⁸.0¹²,¹⁸]icos-13-ene-5,15,20-trione
7-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-(3,4,5-trihydroxyphenyl)-2,8-dioxatricyclo[7.3.1.0⁵,¹³]trideca-1(12),3,5(13),6,9-pentaen-11-one
(1r,2r,7s,10r,13r,14r,16s,19r,20s)-19-[(2r)-2-hydroxy-5-oxo-2h-furan-3-yl]-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,12,17-trione
(3s)-3-hydroxy-5-{[(2e)-3-(3-hydroxy-5-methoxy-4-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)prop-2-en-1-yl]oxy}-3-methyl-5-oxopentanoic acid
(2r,3r,4r,5r,6r)-4,5-dihydroxy-6-{[(2r,3s,5s)-3-hydroxy-2,5-dimethoxyoxolan-3-yl]methoxy}-2-(hydroxymethyl)oxan-3-yl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
3-(3,6-dihydroxy-2-oxo-3a-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-dihydro-5h-furo[3,2-b]furan-3-yl)-3-(4-hydroxyphenyl)propanoic acid
(2s,3r,4s,5s,6r)-2-{[(3s,4r)-4-ethenyl-8-oxo-3h,4h,6h-pyrano[3,4-c]pyran-3-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2e)-3-(4-hydroxyphenyl)prop-2-enoate
methyl 5-(acetyloxy)-3,4-dihydroxy-6-{[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxane-2-carboxylate
19-(furan-3-yl)-12,21-dihydroxy-9,9,13,20-tetramethyl-4,8,15,18-tetraoxahexacyclo[11.9.0.0²,⁷.0²,¹⁰.0¹⁴,¹⁶.0¹⁴,²⁰]docosane-5,11,17-trione
(2r)-phellodensin f
{"Ingredient_id": "HBIN006550","Ingredient_name": "(2r)-phellodensin f","Alias": "NA","Ingredient_formula": "C26H30O10","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "502.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "17060","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11641873","DrugBank_id": "NA"}
(2R)-phellodensin-F
{"Ingredient_id": "HBIN006551","Ingredient_name": "(2R)-phellodensin-F","Alias": "NA","Ingredient_formula": "C26H30O10","Ingredient_Smile": "CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)OC4C(C(C(C(O4)CO)O)O)O)C","Ingredient_weight": "502.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "39112","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "11641873","DrugBank_id": "NA"}
3'-[γ-hydroxymethyl-(e)-γ-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate
{"Ingredient_id": "HBIN009772","Ingredient_name": "3'-[\u03b3-hydroxymethyl-(e)-\u03b3-methylallyl]-2,4,2',4'-tetrahydroxychalcone 11'-o-coumarate","Alias": "NA","Ingredient_formula": "C29H26O8","Ingredient_Smile": "CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC=C(C=C3)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "10505","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4',6''-diacetyl puerarin
{"Ingredient_id": "HBIN010066","Ingredient_name": "4',6''-diacetyl puerarin","Alias": "NA","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CC(=O)OCC1C(C(C(C(O1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT15013","TCMID_id": "5344","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
4',6''-diacetyl puerarine
{"Ingredient_id": "HBIN010067","Ingredient_name": "4',6''-diacetyl puerarine","Alias": "NA","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CC(=O)OCC1C(C(C(C(O1)C2=C(C=CC3=C2OC(CC3=O)C4=CC=C(C=C4)OC(=O)C)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30889","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
5,7-dihydroxyflavone; 7-o-(6-o-malonyl-beta-d-glucopyranoside)
{"Ingredient_id": "HBIN011308","Ingredient_name": "5,7-dihydroxyflavone; 7-o-(6-o-malonyl-beta-d-glucopyranoside)","Alias": "NA","Ingredient_formula": "C24H22O12","Ingredient_Smile": "NA","Ingredient_weight": "502.42","OB_score": "NA","CAS_id": "162101-61-3","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7704","PubChem_id": "NA","DrugBank_id": "NA"}
apigenin-7-o-beta-d-glucuronide butyl ester
{"Ingredient_id": "HBIN016459","Ingredient_name": "apigenin-7-o-beta-d-glucuronide butyl ester","Alias": "apigenin-7-o-\u03b2-d-glucuronide butyl ester","Ingredient_formula": "C25H26O11","Ingredient_Smile": "CCCCOC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "30617;1495","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}