Exact Mass: 372.06846060000004
Exact Mass Matches: 372.06846060000004
Found 336 metabolites which its exact mass value is equals to given mass value 372.06846060000004,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Dothistromin
QUIZALOFOP-ETHYL
CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10197; ORIGINAL_PRECURSOR_SCAN_NO 10195 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10169; ORIGINAL_PRECURSOR_SCAN_NO 10168 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10194; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10142; ORIGINAL_PRECURSOR_SCAN_NO 10140 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10217; ORIGINAL_PRECURSOR_SCAN_NO 10216 ORIGINAL_ACQUISITION_NO 10194; CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_PRECURSOR_SCAN_NO 10192 CONFIDENCE standard compound; INTERNAL_ID 430; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 10226; ORIGINAL_PRECURSOR_SCAN_NO 10224 D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
Gomphidic acid
Gomphidic acid is found in mushrooms. Gomphidic acid is a pigment from the lichen Gomphidius glutinosus (spike cap). Pigment from the lichen Gomphidius glutinosus (spike cap). Gomphidic acid is found in mushrooms.
Veranisatin C
Veranisatin C is found in fruits. Veranisatin C is a constituent of Illicium verum (Chinese star anise)
Dihydroferulic acid 4-O-glucuronide
Dihydroferulic acid 4-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
Sulindac sulfone
Sulindac sulfone is a metabolite of sulindac. Sulindac is a non-steroidal anti-inflammatory drug of the arylalkanoic acid class that is marketed in the UK & U.S. by Merck as Clinoril. (Wikipedia)
Pamoic acid
Pamoic acid, also known as pamoate, belongs to the class of organic compounds known as naphthalenecarboxylic acids. Naphthalenecarboxylic acids are compounds containing a naphthalene moiety, which bears a carboxylic acid group one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. Pamoic acid is considered to be a practically insoluble (in water) and relatively neutral molecule.
Dihydroisoferulic acid 3-glucuronide
Glafenine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Hydroxypioglitazone
C19H20N2O4S (372.11437200000006)
C78272 - Agent Affecting Nervous System
(5Z)-5-[(2-Benzyl-5-hydroxy-4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Edetate disodium
Preservative and sequestrant in foods. Ethylenediaminetetraacetic acid, widely abbreviated as EDTA, is a polyamino carboxylic acid and a colourless, water-soluble solid. Its conjugate base is named ethylenediaminetetraacetate. It is widely used to dissolve limescale. Its usefulness arises because of its role as a hexadentate (six-toothed") ligand and chelating agent Preservative and sequestrant in foods
3-butenylglucosinolate
3-butenylglucosinolate is soluble (in water) and an extremely strong acidic compound (based on its pKa). 3-butenylglucosinolate can be found in a number of food items such as kohlrabi, american cranberry, linden, and lemon balm, which makes 3-butenylglucosinolate a potential biomarker for the consumption of these food products.
Norstictic acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
5-Hydroxy-3,4,5-trimethoxy-6,7-methylenedioxyisoflavone
Lophirone I
4-Hydroxy-5,6,7-trimethoxy-3-(3,4-methylenedioxy)phenylcoumarin
7-Hydroxy-3,5,8-trimethoxy-3,4-methylenedioxyflavone
5-Hydroxy-3,7,8-trimethoxy-3,4-methylenedioxyflavone
glafenine
D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent D002491 - Central Nervous System Agents > D000700 - Analgesics N - Nervous system > N02 - Analgesics
Mefenpyr-diethyl
C16H18Cl2N2O4 (372.06435680000004)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 3169
7-chloro-4,6-dimethoxy-3a,12a-dihydro-5h-furo[3,2:4,5]furo[3,2-b]xanthen-5-one
C19H13ClO6 (372.04006280000004)
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
5aH-6,11:11,13a-Diepoxy-10,11,12,13-tetrahydro-1,5a,10-trihydroxy-9-methylcyclodeca[b]naphthalene-5,7,14(6H)-trione
5,5,6,6-Tetrahydro-6,6-cyclo-5,5-bi[7H-furo[3,2-g][1]benzopyran]-7,7-dione
3beta-chloro-8alpha-acetoxy-4alpha,10alpha-dihydroxy-1alpha,2alpha-epoxy-5alpha,7alphaH-guai-11(13)-en-12,6alpha-olide
C17H21ClO7 (372.09757460000003)
4,5-[Oxy(3,6-dimethyl-5-methoxy-1,2-phenylene)carbonyloxy]-6-methyl-3,7-dihydroxyisobenzofuran-1(3H)-one
9,10-dihydro-6-hydroxy-5,7,8-trimethoxy-9,10-dioxoanthracen-2-yl acetate
1,6-diacetoxy-2,8-dimethoxy-xanthen-9-one|3,8-Diacetoxy-1,7-dimethoxyxanthon (Isogentiacanlein)
2alpha,5,7-trihydroxy-3beta-methylchromanone-2-O-beta-D-glucoside|takanechromanone A
8-Butyryl-1,4,5,7-tetrahydroxy-2-methoxy-anthrachinon|8-Hydroxy,7-Me ether-Rhodocomatulin-8-Hydroxy,7-Me ether|rubrocomatulin 6-methyl ether
(1)Benzopyrano(5,4,3-cde)(1,3)dioxolo(4,5-h)(1)benzopyran-5,11-dione, 1,2,3-trimethoxy-
3,8-dihydroxy-4,7-dimethoxy-1-methylanthraquinone-2-carboxylic acid methyl ester
5-hydroxy-3,6,8-trimethoxy-3,4-methylenedioxyflavone
2,3-dicarboxy-6,7-dihydroxy-1-(3,4-dihydroxy)-phenyl-1,2-dihydronaphthalene-10-methyl ester
4-acetoxy-6-(3,4-diacetoxy-styryl)-pyran-2-one|Tri-O-acetyl-hispidin
5-hydroxyisopsorofebrin|O-De-Me,11-O-Me,1-hydroxy-2,3,3a,12c-Tetrahydro-3,11-dihydroxy-6-methoxy-3-methyl-7H-furo[2,3:4,5]furo[2,3-c]xanthen-7-one,
(7bbeta,12balpha,14calpha)-1,3,5-trihydroxy-7b,12b,13,14c-tetrahydro-14H-benzo[c]naphtho[2,1,8-mna]xanthen-14-one|ohioensin H
3alpha-chloro-9alpha-acetoxy-4beta,10alpha-dihydroxy-1beta,2beta-epoxy-5alpha,7alphaH-guai-11(13)en-12,6alpha-olide
C17H21ClO7 (372.09757460000003)
Eckol
Eckol is a phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity. It has a role as a metabolite and an antioxidant. It is functionally related to a phloroglucinol. Eckol is a natural product found in Ecklonia cava, Ecklonia maxima, and Eisenia bicyclis with data available. A phlorotannin that is oxanthrene-1,3,6,8-tetrol substituted by a 3,5-dihydroxyphenoxy moiety at position 4. Isolated from the marine brown alga, Ecklonia cava, it exhibits antioxidant activity.
Hydroxypioglitazone
C19H20N2O4S (372.11437200000006)
A member of the class of thiazolidenediones that is the hydroxy derivative of pioglitazone. C78272 - Agent Affecting Nervous System
9-Hydroxy-7-(3,4,5-trimethoxyphenyl)-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one
4-hydroxy-austrocorticinic acid|4-Hydroxyaustrocorticinic acid
5,6,7,8-tetrahydroxycoumarin-5-beta-glucopyranoside
4,6-Diformyl-3,8-dihydroxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbonsaeure|4,6-diformyl-3,8-dihydroxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carboxylic acid
(3AR,4R,5R,6AS)-5-HYDROXY-4-((R,E)-3-HYDROXY-4-(3-(TRIFLUOROMETHYL)-PHENOXY)BUT-1-EN-1-YL)HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-2-ONE
Norstictic_acid
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates Norstictic acid is a natural product found in Buellia, Dimelaena, and other organisms with data available.
3,4,5-Tmmf
(1)Benzopyrano(5,4,3-cde)(1,3)dioxolo(4,5-h)(1)benzopyran-5,11-dione, 1,2,3-trimethoxy- is a natural product found in Camptotheca acuminata and Miconia affinis with data available.
C16H20O10_3-(Benzoyloxy)-2-hydroxypropyl beta-D-glucopyranosiduronic acid
(4R,8S)-17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
C19H13ClO6 (372.04006280000004)
Penicillin G potassium
C16H17KN2O4S (372.0546062000001)
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
[IIN-based on: CCMSLIB00000848040]
C19H13ClO6 (372.04006280000004)
(2S,3S,4S,5R,6R)-6-(3-benzoyloxy-2-hydroxypropoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid_major
(4R,8S)-17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹?.0?,?.0¹?,¹?]icosa-1(12),2,5,10,14,16,18-heptaen-20-one
C19H13ClO6 (372.04006280000004)
N-Dealkylzuclopenthixol sulfoxide
C20H21ClN2OS (372.10630460000004)
Fluprostenol Lactone Diol
Veranisatin C
Gomphidic acid
Dihydroferulic acid 4-O-glucuronide
3-(Benzoyloxy)-2-hydroxypropyl ?-D-glucopyranosiduronic acid
11,12-epoxy-17-bromo-8S-hydroxy-9E-heptadecen-16-ynoic acid
tributyl(1,2,2-trifluoroethenyl)stannane
C14H27F3Sn (372.10867279999997)
(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythropentonic acid gamma-lactone 3,5-dibenzoate
Oxametacin
M - Musculo-skeletal system > M01 - Antiinflammatory and antirheumatic products > M01A - Antiinflammatory and antirheumatic products, non-steroids > M01AB - Acetic acid derivatives and related substances C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic
3,6-bis[4-(trifluoromethyl)phenyl]-1,4-dihydro-1,2,4,5-tetrazine
3-phenyl-5-[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]-1,2,4-oxadiazole
5-bromo-1-(4-fluorophenyl)-3-piperidin-4-ylindole
C19H18BrFN2 (372.06372999999996)
Premarin
C18H21NaO5S (372.10073360000007)
C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C1636 - Therapeutic Steroid Hormone C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006728 - Hormones Estrone sulfate, a biologically inactive form of estrogen, is a major circulating plasma estrogen that is converted into the biologically active estrogen, estrone (E1) by steroid sulfatase (STS). Estrone sulfate can be used for the research of breast cancer[1][2].
7-HYDROXY-3-(1-PHENYL-1H-PYRAZOL-4-YL)-2-TRIFLUOROMETHYL-CHROMEN-4-ONE
C19H11F3N2O3 (372.07217319999995)
1-[(4-chlorophenyl)-phenylmethyl]-4-methylpiperazine,dihydrochloride
6-[[2,8-bis(trifluoromethyl)quinolin-4-yl]methyl]pyridin-3-ol
2-(2-(2-FLUOROPHENYL)-5-HYDROXY-8-METHYL-7-OXO-7,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE-6-CARBOXAMIDO)ACETIC ACID
quizalofop-P-ethyl
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
4-(TERT-BUTYL)-2,6-DIMETHYL-3,5-DINITROPHENACYL BROMIDE
tert-Butyl 4-(2-bromo-4-fluorobenzyl)piperazine-1-carboxylate
2-Bromo-13,13-dimethyl-13H-indeno[1,2-b]anthracene
2-(4-BOC-Piperazinomethyl)-1-bromo-3-fluorobenzene
Exisulind
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors C471 - Enzyme Inhibitor > C744 - Phosphodiesterase Inhibitor > C2127 - cGMP Phosphodiesterase Inhibitor D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D020011 - Protective Agents > D016588 - Anticarcinogenic Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D000970 - Antineoplastic Agents D004791 - Enzyme Inhibitors
2-[2-(Boc-L-alanyl)aminothaizol-4-yl]-2-methoxyimino acetic acid
C14H20N4O6S (372.11035000000004)
17β-Dihydro Equilin 3-Sulfate Sodium Salt
C18H21NaO5S (372.10073360000007)
methyl(S)-1-((S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidin-1-yl)-3-methyl-1-oxobutan-2-ylcarbamate
C14H21BrN4O3 (372.07969360000004)
4,5-Dioxo-4,5-dihydro-1H-pyrrol[2,3-f]quinoline-2,7,9-tricarboxylic acid trimethyl ester
8-(4-fluorophenyl)-2-methyl-4,7-dioxo-5-phenyl-1H-pyrido[2,3-d]pyrimidine-6-carbonitrile
N,N-DiBoc-2-amino-4-bromopyridine
C15H21BrN2O4 (372.06846060000004)
4-Bromo-2-(4-BOC-piperazinomethyl)-1-fluorobenzene
N,N-DIBOC-2-CHLORO-4-NITROANILINE
C16H21ClN2O6 (372.10880760000003)
2(3H)-Benzothiazolone, 3-((4-(2-methyl-1H-imidazo(4,5-C)pyridin-1-yl)phenyl)methyl)-
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-YL) ethyl-4-(4-ethoxy [1,1-biphenyl]-4-YL)-4-oxobutanoic acid
C19H20N2O4S (372.11437200000006)
Hexadimethrini bromidum
D006401 - Hematologic Agents > D003029 - Coagulants > D006494 - Heparin Antagonists D001697 - Biomedical and Dental Materials
1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
6-[(3-Aminophenyl)methyl]-4,6-dihydro-4-methyl-2-(methylsulfinyl)-5h-thieno[2,3:4,5]pyrrolo[2,3-d]pyridazin-5-one
C17H16N4O2S2 (372.07146359999996)
(2Z,5Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-((4-hydroxyphenyl)imino)thiazolidin-4-one
2-(Benzenesulfonylmethyl)-5-(4-methoxyphenyl)cyclohexane-1,3-dione
C20H20O5S (372.10313900000006)
ethyl (2S)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
[4-[(Z)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methylbenzenesulfonate
4-[4-Amino-6-(2,6-dichloro-phenoxy)-[1,3,5]triazin-2-ylamino]-benzonitrile
Methyl-2-S-(alpha-D-mannopyranosyl)-2-thio-alpha-D-mannopyranoside
(Z)-3-Benzyl-5-(2-Hydroxy-3-Nitrobenzylidene)-2-Thioxothiazolidin-4-One
(2s)-1,3-Benzothiazol-2-Yl{2-[(2-Pyridin-3-Ylethyl)amino]pyrimidin-4-Yl}ethanenitrile
3-[1-(4-Bromo-phenyl)-2-methyl-propyl]-4-hydroxy-chromen-2-one
C19H17BrO3 (372.03609919999997)
Edetate disodium
D064449 - Sequestering Agents > D002614 - Chelating Agents > D065096 - Calcium Chelating Agents D000074385 - Food Ingredients > D005503 - Food Additives D006401 - Hematologic Agents > D000925 - Anticoagulants
deacetylcephalosporin C(1-)
A cephalosporin carboxylic acid anion that is the conjugate base of deacetylcephalosporin C, arising from deprotonation of both carboxy groups and protonation of the amino group; major species at pH 7.3.
Violaceinate
C21H14N3O4- (372.09842640000005)
A monocarboxylic acid anion that is the conjugate base of violaceinic acid, resulting from the removal of the proton from the carboxy group. Major structure at pH 7.3.
5-Methoxy-6-methylbenzimidazole ribotide phosphate
C14H17N2O8P-2 (372.07224920000004)
2-Hydroxy-5-[(6-sulfonaphthalen-2-yl)diazenyl]benzoic acid
C17H12N2O6S (372.04160520000005)
[(2R,3S,4R,5S)-5-(5-cyano-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
(5Z)-5-[(2-Benzyl-5-hydroxy-4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
[(Z)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylpent-4-enylideneamino] sulfate
1-S-[(1Z)-N-(sulfonatooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose
N1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamide
4-(4-(4-Chlorobenzyl)piperazin-1-yl)-6-ethylthieno[2,3-d]pyrimidine
C19H21ClN4S (372.11753760000005)
5-[(4-chloro-1-pyrazolyl)methyl]-N-(6-methyl-1,3-benzothiazol-2-yl)-2-furancarboxamide
C17H13ClN4O2S (372.04477080000004)
3-chloro-5-(2-furanyl)-N-propan-2-yl-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinecarboxamide
N-(4-methyl-1,3-benzothiazol-2-yl)-9H-xanthene-9-carboxamide
2-(6-Imidazo[2,1-b]thiazolyl)acetic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester
(2-Morpholin-4-yl-2-oxoethyl) 4-methylsulfonyl-3-nitrobenzoate
N-{(E)-[5-(3-bromophenyl)furan-2-yl]methylidene}-3-methyl-1H-pyrazole-5-carbohydrazide
1-[[1-[(4-Chlorophenyl)methyl]-2-oxo-3-indolylidene]amino]-3-ethylthiourea
N-[(E)-(6-chloro-4-oxo-4H-chromen-3-yl)methylidene]-4-hydroxy-3-methoxybenzohydrazide
C18H13ClN2O5 (372.05129580000005)
N-[4-[methyl(phenyl)sulfamoyl]phenyl]-2-thiophenecarboxamide
N-[2,5-dimethoxy-4-[[oxo(thiophen-2-yl)methyl]amino]phenyl]-2-furancarboxamide
N-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxoethyl]-2-(4-methylphenoxy)acetohydrazide
C16H16N6O3S (372.10045460000003)
N-(4-hydroxyphenyl)-N-methyl-N-thiophen-2-ylsulfonylbenzenecarboximidamide
(17S)-5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.03,8.014,18]octadeca-1(11),3(8),4,6,12,14(18)-hexaene-4-carbaldehyde
N-ethyl-2-[(2S,3S,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2S,3S,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2R,3R,6S)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
N-ethyl-2-[(2R,3R,6R)-3-[(4-fluorophenyl)sulfonylamino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetamide
2-{[(2E)-3-iodoprop-2-en-1-yl](propyl)ammonio}tetralin-7-ol(1+)
[2-Hydroxy-5-[2-hydroxy-3-(2,4,6-trihydroxyphenyl)propyl]phenyl] hydrogen sulate
C15H16O9S (372.05150060000005)
3,4,5-trihydroxy-6-[(E)-3-(2,4,5-trihydroxyphenyl)prop-2-enoyl]oxyoxane-2-carboxylic acid
(2R,3S,4R,5S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3,4,5-tetrahydroxyhexanedioic acid
3,4,5-Trihydroxy-6-[3-(4-hydroxy-3-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[3-(3-hydroxy-5-methoxyphenyl)propanoyloxy]oxane-2-carboxylic acid
2-[(3E)-6-fluoro-2-(hydroxymethyl)-3-[[4-[(S)-methylsulfinyl]phenyl]methylidene]inden-1-yl]acetic acid
[5-[2-amino-5-(azaniumylmethyl)-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxy-2,5-dihydrofuran-2-yl]methyl phosphate
C12H15N5O7P- (372.07090700000003)
QUIZALOFOP-ETHYL
D010575 - Pesticides > D006540 - Herbicides D016573 - Agrochemicals
(2S,3S,4S,5R,6S)-6-[5-(2-carboxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Impatienol(2-)
An enolate anion that is the dianion obtained by the deprotonation of the enol groups of impatienol.
H4R antagonist 3
C19H21ClN4S (372.11753760000005)
H4R antagonist 3 (Example 18) is a histamine-4 receptor antagonist with an EC50 of ＜10 mM. H4R antagonist 3 can be used for the research of prevention of inflammatory, autoimmune, allergic, and ocular diseases[1].
Kras4B G12D-IN-1
C16H21ClN2O4S (372.0910496000001)
Kras4B G12D-IN-1 is a Kras4B G12D inhibitor with anticancer effects. Kras4B G12D-IN-1 decreases Kras protein expression in mouse embryonic fibroblasts (MEF) expressing Kras4B G12D (WO2016179558A1, Comp 994566)[1].
(1r,15s,23s)-6,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(1r,2s,14s,15r)-8,12,17,21-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹¹.0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
2-(2h-1,3-benzodioxol-5-yl)-7-hydroxy-3,5,8-trimethoxychromen-4-one
(2r,3r,4r,5s)-2,3,4,5,7-pentahydroxy-6-oxoheptyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
1-hydroxy-16,17-dimethoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
2,4,6,15,18-pentahydroxy-7,9-dioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),11,14,16,18-hexaene-13,20-dione
12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)
(2r)-7-hydroxy-2-[2-(4-hydroxyphenyl)-1-benzofuran-5-yl]-2,3-dihydro-1-benzopyran-4-one
(2s,3s)-5,7-dihydroxy-3-methyl-2-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
4,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
methyl (1s,4ar,7ar)-7-oxo-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
(2s,3s)-3-(3,4-dihydroxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
8,12,17,21-tetraoxaheptacyclo[13.11.0.0²,¹⁴.0³,¹¹.0⁵,⁹.0¹⁸,²⁶.0²⁰,²⁴]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
8-chloro-4,7,12-trihydroxy-3-methyl-3,4-dihydro-2h-tetracene-1,6,11-trione
C19H13ClO6 (372.04006280000004)
(6s)-6,11-dihydroxy-2,3,9-trimethoxy-6h-5,7-dioxatetraphen-12-one
13,14-dihydroxy-15-methoxy-4-methyl-5,10,19-trioxapentacyclo[9.8.1.0¹,⁸.0³,⁷.0¹²,¹⁷]icosa-3,6,12(17),13,15-pentaene-2,9-dione
[(4r)-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
(17r)-13,17-dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
3-(2h-1,3-benzodioxol-5-yl)-4-hydroxy-5,6,7-trimethoxychromen-2-one
3,4-methylenedioxy-3',4'-o-dimethyl-5'-me-thoxyellagicacid
{"Ingredient_id": "HBIN007497","Ingredient_name": "3,4-methylenedioxy-3',4'-o-dimethyl-5'-me-thoxyellagicacid","Alias": "NA","Ingredient_formula": "C18H12O9","Ingredient_Smile": "Not Available","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "14359","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
7-caffeoylsedoheptulose
{"Ingredient_id": "HBIN013130","Ingredient_name": "7-caffeoylsedoheptulose","Alias": "NA","Ingredient_formula": "C16H20O10","Ingredient_Smile": "C1=CC(=C(C=C1C=CC(=O)OCC(C(C(C(C(=O)CO)O)O)O)O)O)O","Ingredient_weight": "372.32 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "2922","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "102369742","DrugBank_id": "NA"}
(3s,4s)-4-(3,4-dihydroxyphenyl)-6,7-dihydroxy-3-(methoxycarbonyl)-3,4-dihydronaphthalene-2-carboxylic acid
(2r)-2-hydroxy-2-[(2r,3s,4s,5r)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl (2e)-3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexanoic acid
3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl 3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
2-hydroxy-2-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
(2r,3r)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
(1r,2r,3r,5s,9s,10r,11r,12r,13s)-11-chloro-2,12-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)
methyl 1,3,5-trihydroxy-2,5-bis(4-hydroxyphenyl)-4-oxocyclopent-2-ene-1-carboxylate
8-benzoyl-7-hydroxy-5-methoxy-4-phenylchromen-2-one
17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
C19H13ClO6 (372.04006280000004)
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
(1s,13r)-1-hydroxy-16,17-dimethoxy-5,7,11,14-tetraoxapentacyclo[11.8.0.0²,¹⁰.0⁴,⁸.0¹⁵,²⁰]henicosa-2,4(8),9,15,17,19-hexaen-21-one
6,7,8-trihydroxy-5-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2e)-3-(3,4-dihydroxy-5-methoxyphenyl)prop-2-enoate
9-hydroxy-7-(3,4,5-trimethoxyphenyl)-2h-[1,3]dioxolo[4,5-g]chromen-8-one
6-hydroxy-5,7,8-trimethoxy-9,10-dioxoanthracen-2-yl acetate
methyl (1s,4ar)-7-oxo-1-{[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
[(1s,4s)-4-(4-bromo-3,3-dimethylcyclohexyl)-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
6,7,8-trihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
12,13,14-trimethoxy-3,5,10,17-tetraoxapentacyclo[9.6.2.0²,⁶.0⁸,¹⁸.0¹⁵,¹⁹]nonadeca-1,6,8(18),11(19),12,14-hexaene-9,16-dione
(1r,4r,13s,14s,18s)-7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.1¹,⁴.0⁴,¹³.0⁶,¹¹]icosa-6,8,10,16-tetraene-5,12,15-trione
(2r,3s,4r,5r)-3,4,5,6-tetrahydroxy-2-{[(2z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexanoic acid
(3s,4r,5r,6s,9e)-10-(3,4-dihydroxyphenyl)-1,3,4,5,6,7-hexahydroxydec-9-ene-2,8-dione
(1r,2s,8r,9r,10r,11s,12r,14r)-11-chloro-9,10-dihydroxy-9,14-dimethyl-5-methylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.0²,⁶.0¹²,¹⁴]tetradecan-8-yl acetate
C17H21ClO7 (372.09757460000003)
21-(dimethylamino)-17-thia-1,11,14-triazahexacyclo[10.9.2.0²,⁷.0⁸,²³.0¹³,¹⁸.0¹⁹,²²]tricosa-2(7),3,5,8,10,12(23),13(18),14,19(22),20-decaen-15-ol
(1r,4r,13r,14r,18s)-7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.1¹,⁴.0⁴,¹³.0⁶,¹¹]icosa-6,8,10,16-tetraene-5,12,15-trione
(4s,8r)-17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
C19H13ClO6 (372.04006280000004)
(4s,7r,8s,11r)-6-(hydroxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
2-[2-(2-hydroxyphenyl)-1,3-benzoxazol-4-yl]-1,3-benzoxazole-4-carboxylic acid
C21H12N2O5 (372.07461820000003)
(2s,3s,4e)-3-(3,4-dihydroxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methylidene]-5-oxooxolane-2-carboxylic acid
(1s,8s,11s)-13,14-dihydroxy-15-methoxy-4-methyl-5,10,19-trioxapentacyclo[9.8.1.0¹,⁸.0³,⁷.0¹²,¹⁷]icosa-3,6,12(17),13,15-pentaene-2,9-dione
5,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
methyl (1s,5s)-1,3,5-trihydroxy-2,5-bis(4-hydroxyphenyl)-4-oxocyclopent-2-ene-1-carboxylate
6,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(4r,7r,8s,11r)-6-(hydroxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
3-({[(4s)-3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl]methyl}sulfanyl)-2-hydroxypropanoic acid
C16H20O8S (372.08788400000003)
6-(acetyloxy)-2,8-dimethoxy-9-oxoxanthen-1-yl acetate
(2s)-2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}-3-(1h-indol-3-yl)propanoic acid
11-chloro-2,12-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)
[(1s,4r)-4-[(1s,4s)-4-bromo-3,3-dimethylcyclohexyl]-2,3-dioxabicyclo[2.2.2]oct-5-en-1-yl]methyl acetate
3-{[(3,8-dihydroxy-6-methoxy-4,5-dimethyl-1-oxo-4h-2-benzopyran-3-yl)methyl]sulfanyl}-2-hydroxypropanoic acid
C16H20O8S (372.08788400000003)
5,7-dihydroxy-3-methyl-2-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
(3s,4s)-8-chloro-4,7,12-trihydroxy-3-methyl-3,4-dihydro-2h-tetracene-1,6,11-trione
C19H13ClO6 (372.04006280000004)
6,11-dihydroxy-6-(hydroxymethyl)-18-methoxy-4,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
8-(acetyloxy)-2,3-dimethoxy-9-oxoxanthen-4-yl acetate
(3s,6r,7r)-6,11-dihydroxy-6-(hydroxymethyl)-18-methoxy-4,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,9,11,14,16,18-hexaen-13-one
7,13,18-trihydroxy-17-methyl-19,20-dioxapentacyclo[12.4.1.1¹,⁴.0⁴,¹³.0⁶,¹¹]icosa-6,8,10,16-tetraene-5,12,15-trione
(2r,3s,4ar,12bs)-2,3,4a,8,12b-pentahydroxy-3-methyl-2,4-dihydrotetraphene-1,7,12-trione
(1r,15s,23s)-4,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(4r,5r)-4,5-bis(8-hydroxyquinolin-4-yl)oxolan-2-one
3,4,5,6-tetrahydroxy-2-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}hexanoic acid
2-{[(3-chloro-6-hydroxy-2-methylphenyl)(hydroxy)methylidene]amino}-3-(1h-indol-3-yl)propanoic acid
(1r,15s,23s)-5,9,11-trihydroxy-22-oxahexacyclo[10.10.2.0²,⁷.0⁸,²⁴.0¹⁵,²³.0¹⁶,²¹]tetracosa-2,4,6,8,10,12(24),16,18,20-nonaen-13-one
(17r)-5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carbaldehyde
(2s)-3-(7-iodo-1h-indol-3-yl)-2-(trimethylammonio)propanoate
1-butanoyl-2,4,5,8-tetrahydroxy-7-methoxyanthracene-9,10-dione
(2r,3r)-3-(3,4-dihydroxy-5-methoxyphenyl)-2-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-h]chromen-9-one
(17s)-5,13,17-trihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carbaldehyde
13,17-dihydroxy-5-methoxy-4,7,12-trimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(11),3,5,7,12,14(18)-hexaene-9,15-dione
methyl 7-oxo-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1h,4ah,7ah-cyclopenta[c]pyran-4-carboxylate
5,13-dihydroxy-7,12-dimethyl-9,15-dioxo-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3(8),4,6,11,13-hexaene-4-carboxylic acid
1,6-dimethyl 2,8-dimethoxy-9-oxoxanthene-1,6-dicarboxylate
(4s,7s,8s,11s)-6-(hydroxymethyl)-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,9-dioxatricyclo[5.3.1.0⁴,¹¹]undeca-1(10),5-dien-2-one
13-hydroxy-4-(hydroxymethyl)-5-methoxy-7,12-dimethyl-2,10,16-trioxatetracyclo[9.7.0.0³,⁸.0¹⁴,¹⁸]octadeca-1(18),3,5,7,11,13-hexaene-9,15-dione
(1s,2r,3s,4ar,9as)-9a-chloro-1,2,3,4a,8-pentahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
methyl 15-formyl-6,14-dihydroxy-4,7,12-trimethyl-10-oxo-2,9-dioxatricyclo[9.4.0.0³,⁸]pentadeca-1(15),3(8),4,6,11,13-hexaene-5-carboxylate
2-(3,4-dihydroxy-5-methoxyphenyl)-3-(hydroxymethyl)-2h,3h-[1,4]dioxino[2,3-g]chromen-7-one
2-(2h-1,3-benzodioxol-5-yl)-5-hydroxy-3,6,8-trimethoxychromen-4-one
(4r,8s)-17-chloro-2,18-dimethoxy-7,9,13-trioxapentacyclo[10.8.0.0³,¹⁰.0⁴,⁸.0¹⁴,¹⁹]icosa-1,3(10),5,11,14,16,18-heptaen-20-one
C19H13ClO6 (372.04006280000004)
(1s,2r,3r,5s,9s,10s,11r,12r,13s)-12-chloro-2,11-dihydroxy-2,11-dimethyl-6-methylidene-7-oxo-8,14-dioxatetracyclo[8.4.0.0¹,¹³.0⁵,⁹]tetradecan-3-yl acetate
C17H21ClO7 (372.09757460000003)