Exact Mass: 384.0593632
Exact Mass Matches: 384.0593632
Found 261 metabolites which its exact mass value is equals to given mass value 384.0593632,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Ticarcillin
Ticarcillin is only found in individuals that have used or taken this drug. It is an antibiotic derived from penicillin similar to carbenicillin in action.Ticarcillins antibiotic properties arise from its ability to prevent cross-linking of peptidoglycan during cell wall synthesis when the bacteria tries to divide, causing death. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum 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
1-((4-Methylsulfonyl)phenyl)-3-trifluoromethyl-5-(4-fluorophenyl)pyrazole
C17H12F4N2O2S (384.05555799999996)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
Tcm F2
Hydroxyversicolorone
An anthrafuran that is 2,3-dihydroanthra[2,3-b]furan-5,10-dione substituted at positions 2, 4, 6 and 8 by hydroxy groups and at position 3 by a 3-oxobutyl group.
2-O-Feruloylhydroxycitric acid
2-O-Feruloylhydroxycitric acid is found in cereals and cereal products. 2-O-Feruloylhydroxycitric acid is a constituent of Zea mays (sweet corn). Constituent of Zea mays (sweet corn). 2-O-Feruloylhydroxycitric acid is found in cereals and cereal products, fats and oils, and corn.
Tomenin
Constituent of Prunus tomentosa (nanking cherry). Tomenin is found in fruits and nanking cherry. Tomenin is found in fruits. Tomenin is a constituent of Prunus tomentosa (nanking cherry).
Eleutheroside B1
Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.
5,6-Dimethoxysterigmatocystin
5,6-Dimethoxysterigmatocystin is a mycotoxin produced by Aspergillus multicolo D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4 and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid
3,4,5-trihydroxy-6-{2-hydroxy-5-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 5-[(3,4-dihydroxyphenyl)methyl]oxolan-2-one. It is generated by UDP-glucuronosyltransferase 1-1 (P22309) enzyme via an aromatic-OH-glucuronidation reaction. This aromatic-OH-glucuronidation occurs in humans.
4'-Methylepicatechin 3'-sulfate
C16H16O9S (384.05150060000005)
4'-Methylepicatechin 5-sulfate
C16H16O9S (384.05150060000005)
4'-Methylepicatechin 7-sulfate
C16H16O9S (384.05150060000005)
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
2-((2-((Dimethylamino)methyl)phenyl)thio)-5-iodophenylamine
C15H17IN2S (384.01571520000005)
Glucose lactate ketone
Theasaponin F2
Theasaponin f2 is a member of the class of compounds known as anthracenes. Anthracenes are organic compounds containing a system of three linearly fused benzene rings. Theasaponin f2 is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Theasaponin f2 can be found in tea, which makes theasaponin f2 a potential biomarker for the consumption of this food product.
betanidin quinone
Betanidin quinone is a member of the class of compounds known as betalains. Betalains are organic compounds belonging to the class of Betaxanthins or Betacyanins. This class also contains derivatives of betalamic acid, which is the precursor of betalains. Betanidin quinone is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Betanidin quinone can be found in a number of food items such as star fruit, bitter gourd, moth bean, and herbs and spices, which makes betanidin quinone a potential biomarker for the consumption of these food products.
O=C1C2=C(O)C=C(O)C=C2C(=O)C(C=C2O3)=C1C(O)=C2C1C(O)CCC3(C)O1
6-Bromo-2-naphthyl-beta-D-galactopyranoside
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.799 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.796 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.797
6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
2-Acetoxy-1,3-dimethoxy-methylendioxypterocarp-6a-en
(-)-sanguinolignan B|(8S,7S,8S)-3,3,4,4-bis(methylenedioxy)-7-hydroxy-7-oxolignano-9,9-lactone
Me ester-9,10-Dihydro-3,6,8-trihydroxy-9,10-dioxo-1-(1-oxopropyl)-2-anthranceneacetic acid
9,10-Dihydro-5-hydroxy-2,10-diphenyl-4H,8H-benzo[1,2-b:3,4-b]dipyran-4,8-dione
(+)-4-oxo-8-hydroxy-2,6-di(3,4-methylenedioxy)phenyl-3,7-dioxabicyclo[3.3.0]octane|vitelignin A
Eleutheroside B1
Eleutheroside B1 is a natural product found in Eleutherococcus senticosus with data available.
Isofraxidin-7-glucoside
Calycanthoside is a natural product found in Salsola laricifolia, Boeremia exigua, and other organisms with data available.
6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
6,8-dimethoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
UK-373911
CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3710; ORIGINAL_PRECURSOR_SCAN_NO 3708 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3725; ORIGINAL_PRECURSOR_SCAN_NO 3724 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3692; ORIGINAL_PRECURSOR_SCAN_NO 3691 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3720; ORIGINAL_PRECURSOR_SCAN_NO 3719 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3707; ORIGINAL_PRECURSOR_SCAN_NO 3704 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3709; ORIGINAL_PRECURSOR_SCAN_NO 3707 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7620; ORIGINAL_PRECURSOR_SCAN_NO 7617 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7657; ORIGINAL_PRECURSOR_SCAN_NO 7655 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7659; ORIGINAL_PRECURSOR_SCAN_NO 7656 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7702; ORIGINAL_PRECURSOR_SCAN_NO 7699 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7703; ORIGINAL_PRECURSOR_SCAN_NO 7699 CONFIDENCE standard compound; INTERNAL_ID 628; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7702; ORIGINAL_PRECURSOR_SCAN_NO 7697
Cys Cys Cys Gly
C11H20N4O5S3 (384.05957900000004)
Cys Cys Gly Cys
C11H20N4O5S3 (384.05957900000004)
Cys Gly Cys Cys
C11H20N4O5S3 (384.05957900000004)
Gly Cys Cys Cys
C11H20N4O5S3 (384.05957900000004)
Eleutheroside B1
Dimethoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
2-O-Feruloylhydroxycitric acid
5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
trans-2-Chloro-3-[4-(4-chlorophenyl)cyclohexyl]-1,4-naphthalenedione
C22H18Cl2O2 (384.06837879999995)
3-bromo-2-[[4-(diethylamino)-o-tolyl]azo]-5-methylbenzonitrile
4-(1H,1H,2H,2H,3H,3H-PERFLUOROHEPTYLOXY)BENZYL ALCOHOL
C14H13F9O2 (384.07717859999997)
Phosphonium,(1-methylethyl)triphenyl-, bromide (1:1)
C21H22BrP (384.06424020000003)
4-(4-chlorophenyl)sulfonyl-4-(2,5-difluorophenyl)cyclohexan-1-one
2-Naphthalenecarboxylic acid, 7-bromo-4-(phenylmethoxy)-, ethyl ester
C20H17BrO3 (384.03609919999997)
2-(2-(2-oxo-2H-chromen-7-yloxy)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
tert-Butyl 3-((5-bromo-3-formylpyridin-2-yloxy)-methyl)pyrrolidine-1-carboxylate
C16H21BrN2O4 (384.06846060000004)
Ethyl 4-(benzyloxy)-6-bromo-2-naphthoate
C20H17BrO3 (384.03609919999997)
5-o-(p-chlorobenzoyl)-3-c-(2-trimethylsilylethynyl)-d-ribofuranose
3-((4-BROMOPHENYL)(2,5-DIMETHYLPHENYL)METHYL)-2,5-DIMETHYLTHIOPHENE
C21H21BrS (384.05472460000004)
(carboethoxymethyl)triphenylphosphonium chloride hydrate
sodium,formaldehyde,6-hydroxynaphthalene-2-sulfonic acid,2-methylphenolate
C18H17NaO6S (384.06435020000004)
Alizarin Complexone dihydrate, indicator grade, pure
4-(5-Bromo-4-(phenylamino)pyrimidin-2-ylamino)benzoic acid
N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonamide
(3,3,3-Triphenylpropyl)phosphonium bromide
C21H22BrP (384.06424020000003)
2-ETHOXY-5-(3-NITRO-BENZOYLAMINO)-BENZENESULFONYL CHLORIDE
C15H13ClN2O6S (384.01828280000007)
1-(4-Iodophenyl)-3-morpholin-4-yl-5,6-dihydropyridin-2(1H)-one
2-(4-(2-(trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxamide
2-ETHOXY-5-(4-NITRO-BENZOYLAMINO)-BENZENESULFONYL CHLORIDE
C15H13ClN2O6S (384.01828280000007)
Bicyclo[3.3.1]nona-2,6-diene-1,3,5,7-tetracarboxylicacid, 2,6-dihydroxy-, 1,3,5,7-tetramethyl ester
ethyl 1-benzyl-5-(4-bromophenyl)pyrazole-3-carboxylate
C19H17BrN2O2 (384.04733219999997)
DICLOFENACBETA-DIMETHYLAMINOETHANOL
C14H11Cl2NO2.C4H11NO (384.1007402)
17β-Dihydro Equilenin 3-Sulfate Sodium Salt
C19H21O5S-.Na+ (384.10073360000007)
3-Bromo-5-(ethoxycarbonylmethoxy)phenylboronic acid, pinacol ester
LY2140023 Monohydrate
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Phenyliodoundecynoate
C254 - Anti-Infective Agent > C276 - Antiparasitic Agent
Propanoic acid, 3-((((2-(1,1-dimethylethyl)-5-methoxy-6-benzothiazolyl)amino)thioxomethyl)thio)-
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics
(4-Chlorophenyl)[5-morpholino-4-(2-pyridinyl)-2-thienyl]methanone
2-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-(5-methyl-3-isoxazolyl)acetamide
C15H11F3N4O3S (384.05039320000003)
4-(4-fluorophenyl)sulfonyl-2-(2-furanyl)-N-phenyl-5-oxazolamine
C19H13FN2O4S (384.05800300000004)
3-[(5-{3-Nitrobenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzoic acid
C18H12N2O6S (384.04160520000005)
(5S,8S)-5-(3,4-dichlorophenyl)-8-(methylamino)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
N-Benzyl-2-(6-bromo-2-methyl-quinolin-4-yloxy)-acetamide
C19H17BrN2O2 (384.04733219999997)
2,3-Dehydro-2,3-deoxy-thymidine 5-diphosphate
C10H14N2O10P2 (384.01236839999996)
5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone-4'-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide is a conjugate of 5-(3,4-dihydroxyphenyl)-gamma-valerolactone-4 and glucuronide. A glucuronide, also known as glucuronoside, is any substance produced by linking glucuronic acid to another substance via a glycosidic bond. The glucuronides belong to the glycosides. (Wikipedia)
[3,3:5,3-Terpyridin]-2-amine, 6,6-bis(trifluoromethyl)-
2,4,6,8-Tetrahydroxy-3-(3-oxobutyl)-2,3-dihydronaphtho[2,3-f][1]benzofuran-5,10-dione
Eleutheroside B1
Calycanthoside is found in herbs and spices. Calycanthoside is a constituent of Calycanthus occidentalis (Californian allspice) From Siberian ginseng (Eleutherococcus (Acanthopanax) senticosus). Eleutheroside B1 is found in tea and potato.
1,3,6,8-tetrahydroxy-2-[(2S)-1-hydroxy-5-oxohexan-2-yl]anthracene-5,10-dione
3,4a,8,10,11-pentahydroxy-1,12-dioxo-5,12a-dihydro-4H-tetracene-2-carboxamide
(2R,3S,4R,5S)-2,3,4-trihydroxy-5-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxyhexanedioate
5,5,6,6-Tetrahydroxy-4,7-bi[1H-indole-2-carboxylic acid]
4-(3-Acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-oxobutanoic acid
1-[(E)-2-(6-carboxy-2-carboxylato-2,3-dihydropyridin-4-yl)ethenyl]-5,6-dioxo-2,3-dihydroindole-2-carboxylate
2-Hydroxypropanoyloxycarbonyl 2-hydroxy-2-[2,3,4,5-tetrahydroxy-6-(hydroxymethyl)oxan-2-yl]propanoate
(-)-sanguinolignan A
A lignan isolated from the leaves of Piper sanguineispicum.
(-)-sanguinolignan B
A lignan isolated from the leaves of Piper sanguineispicum.
6-O-sinapoyl-D-glucono-1,5-lactone
The 6-O-sinapoyl derivative of D-glucono-1,5-lactone.
5-[(2-chlorophenoxy)methyl]-N-(4-methoxybenzylidene)-2-furohydrazide
N-[4-chloro-2-[(2-ethoxyanilino)-oxomethyl]phenyl]-2-furancarboxamide
6-bromo-3-(4-morpholinyl)-4-phenyl-1H-quinolin-2-one
C19H17BrN2O2 (384.04733219999997)
N-(2-bromo-3-phenyl-2-propen-1-ylidene)-3-(2-furyl)-1H-pyrazole-5-carbohydrazide
1-(2,5-Dimethoxyphenyl)-3-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]urea
N-[(5-chloro-2-thiophenyl)methyl]-5-[(2,6-difluorophenoxy)methyl]-3-isoxazolecarboxamide
C16H11ClF2N2O3S (384.0146950000001)
5-chloro-N-(2-furanylmethyl)-2-[[(4-methoxyphenyl)-oxomethyl]amino]benzamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylsulfonyl-4-piperidinecarboxamide
C14H16ClF3N2O3S (384.05222119999996)
3-[(3-chlorophenyl)methyl]-N-(2-furanylmethyl)-7-oxo-2H-triazolo[4,5-d]pyrimidine-5-carboxamide
C17H13ClN6O3 (384.07376180000006)
(3E)-4-(3-acetyl-4,5,7-trihydroxy-10-oxo-9,10-dihydroanthracen-2-yl)-3-hydroxybut-3-enoic acid
(Z)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
C13H16N6O8 (384.10295759999997)
(2S,5S,6R)-6-[[2-carboxy-1-oxo-2-(3-thiophenyl)ethyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(E)-(2,5-dinitrophenoxy)imino-(4-ethoxycarbonylpiperazin-1-yl)-oxidoazanium
C13H16N6O8 (384.10295759999997)
[5,6,7-Trihydroxy-2-(3-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl] hydrogen sulate
3,4,5-trihydroxy-6-[5-hydroxy-2-methoxy-4-[(E)-3-oxobut-1-enyl]phenoxy]oxane-2-carboxylic acid
[(2R,3S)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] hydrogen sulfate
C16H16O9S (384.05150060000005)
(3-Acetyloxy-2,9-dihydroxy-6-oxo-[1]benzouro[3,2-c]chromen-8-yl) acetate
6-[3-(1,3-Benzodioxol-5-yl)-3-oxopropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
[5,7-dihydroxy-3-(2-hydroxy-4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]oxidanesulfonic acid
C16H16O9S (384.05150060000005)
Ticarcillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum A penicillin compound having a 6beta-[(2R)-2-carboxy-2-thiophen-3-ylacetyl]amino side-group. 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
5,6-Dimethoxysterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
SC-58125
C17H12F4N2O2S (384.05555799999996)
D018501 - Antirheumatic Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D016861 - Cyclooxygenase Inhibitors D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D004791 - Enzyme Inhibitors
5-(3,5-Dihydroxyphenyl)-gamma-valerolactone 3-O-glucuronide
5-(3,4-Dihydroxyphenyl)-gamma-valerolactone-4-O-glucuronide
(2S)-versicolorone(2-)
An organic anion obtained by selective deprotonation of the 2- and 7-hydroxy groups of (2S)-versicolorone.
(-)-DCA-CC(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (-)-DCA-CC; major species at pH 7.3.
(+)-DCA-CC(2-)
A dicarboxylic acid dianion obtained by deprotonation of the carboxy groups of (+)-DCA-CC; major species at pH 7.3.
(7R)-7-(4-carboxylatobutanamido)cephalosporanate
Dicarboxylate anion of (7R)-7-(4-carboxybutanamido)cephalosporanic acid.
EL-102
EL-102 is a hypoxia-induced factor 1 (Hif1α) inhibitor. EL-102 induces apoptosis, inhibits tubulin polymerisation and shows activities against prostate cancer. EL-102 can be used for the research of cancer[1].
PI-103 (Hydrochloride)
PI-103 Hydrochloride is a dual PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 Hydrochloride also inhibits DNA-PK with an IC50 of 2 nM. PI-103 Hydrochloride induces autophagy[1][2][3][4]. PI-103 Hydrochloride is a dual PI3K and mTOR inhibitor with IC50s of 8 nM, 88 nM, 48 nM, 150 nM, 20 nM, and 83 nM for p110α, p110β, p110δ, p110γ, mTORC1, and mTORC2. PI-103 Hydrochloride also inhibits DNA-PK with an IC50 of 2 nM. PI-103 Hydrochloride induces autophagy[1][2][3][4].
methyl 2-[(3-formyl-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
(1s,17r,20r)-3,7,9,20-tetrahydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
5,6-dimethoxy-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaen-10-one
(3e)-4-(3-acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-hydroxybut-3-enoic acid
5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether,6-o-beta-d-glucopyranoside
{"Ingredient_id": "HBIN011112","Ingredient_name": "5,6,7-trihydroxy-2h-1-benzopyran-2-one,9ci; 5,7-di-me ether,6-o-beta-d-glucopyranoside","Alias": "NA","Ingredient_formula": "C17H20O10","Ingredient_Smile": "NA","Ingredient_weight": "384.33","OB_score": "NA","CAS_id": "32451-87-9","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7725","PubChem_id": "NA","DrugBank_id": "NA"}
11-chloro-4,8,9,10,12-pentahydroxy-9h,10h,11h-cyclohexa[j]fluoranthen-3-one
C20H13ClO6 (384.04006280000004)
(1r,3r,4s,5s,6s,7s)-3,4,5,7-tetrahydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',8,9',11'-hexaen-10-one
5-hydroxy-7-methoxy-2-({[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)chromen-4-one
(3r,5r,6e,8r)-13-chloro-5,8,14,16-tetrahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H21ClO7 (384.09757460000003)
(3r,4r,5r,7r)-5-chloro-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1,9(16),10,12,14-pentaen-15-ol
C21H21ClN2OS (384.10630460000004)
5-hydroxy-2,10-diphenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
3-({[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-6,8-dihydroxyisochromen-1-one
11-[3-(5-bromopent-2-en-4-yn-1-yl)oxiran-2-yl]-9-hydroxyundec-10-enoic acid
16-chloro-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),15,17-triene-2,13-dione
C18H21ClO7 (384.09757460000003)
6,7-dimethoxy-8-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(3r,5r,6z,8r)-13-chloro-5,8,14,16-tetrahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H21ClO7 (384.09757460000003)
2,3,5,9-tetrahydroxy-2-methyl-1,10-dioxo-3h,4h-benzo[b]fluoren-4-yl acetate
6,8-dimethoxy-7-{[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
2-{4,8,10-trihydroxy-6,11-dioxo-2h,3h-anthra[1,2-b]furan-3-yl}ethyl acetate
(4r,6s,8r)-16-chloro-10,17,19-trihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0⁶,⁸]nonadeca-1(19),15,17-triene-2,13-dione
C18H21ClO7 (384.09757460000003)
4-[2h-1,3-benzodioxol-5-yl(hydroxy)methyl]-3-(2h-1,3-benzodioxole-5-carbonyl)oxolan-2-one
3-({[(2r,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}methyl)-6,8-dihydroxyisochromen-1-one
(3r,5r,8r)-13-chloro-5,8,14,16-tetrahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H21ClO7 (384.09757460000003)
13-chloro-5,8,14,16-tetrahydroxy-3-methyl-4,5,8,9,10,12-hexahydro-3h-2-benzoxacyclotetradecine-1,11-dione
C18H21ClO7 (384.09757460000003)
(2s,5r,6r)-6-{[(2r)-2-carboxy-1-hydroxy-2-(thiophen-3-yl)ethylidene]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
(10s)-5-hydroxy-2,10-diphenyl-9h,10h-pyrano[2,3-h]chromene-4,8-dione
(2s)-6-amino-2-{[(5-chloro-8-hydroxy-3-methyl-1-oxo-3,4-dihydro-2-benzopyran-7-yl)(hydroxy)methylidene]amino}hexanoic acid
C17H21ClN2O6 (384.10880760000003)
5-hydroxy-4-oxo-2-phenylchromen-7-yl 3-phenylprop-2-enoate
2-hydroxy-1-{[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
4-chloro-7-hydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),3,5',7',9',11'-hexaene-5,10-dione
C20H13ClO6 (384.04006280000004)
6,7-dimethoxy-8-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
6-{[(2s,3r,4r,5s,6r)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
(2s,3r,4s,5s,6r)-2-{[(1s,4as,5s,6s,7r,7ar)-6-chloro-4a,5,7-trihydroxy-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol
(3r,3ar,4s,6r,6ar)-3,6-bis(2h-1,3-benzodioxol-5-yl)-4-hydroxy-tetrahydro-3h-furo[3,4-c]furan-1-one
5-chloro-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1,9(16),10,12,14-pentaen-15-ol
C21H21ClN2OS (384.10630460000004)
ethyl (1r,9r)-5,6,9,11,12-pentahydroxy-8-oxotetracyclo[7.6.2.0²,⁷.0¹⁰,¹⁵]heptadeca-2(7),3,5,10,12,14,16-heptaene-16-carboxylate
(1s,9r,12r,16s)-15-chloro-13,14-dihydroxy-6-(1-hydroxyethyl)-1,12-dimethyl-5,10-dioxatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-2,6-diene-4,11-dione
C18H21ClO7 (384.09757460000003)
14,16-dimethoxy-5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-15-yl acetate
methyl (2r)-2-[(3-formyl-4-hydroxyphenyl)methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate
2-({6-chloro-4a,5,7-trihydroxy-1h,5h,6h,7h,7ah-cyclopenta[c]pyran-1-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
5,7-dimethoxy-6-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
15-hydroxy-11,17,18-trimethoxy-6,8,20-trioxapentacyclo[10.8.0.0²,⁹.0³,⁷.0¹⁴,¹⁹]icosa-1,4,9,11,14,16,18-heptaen-13-one
6-{[2-(2,4-dihydroxy-6-methylbenzoyl)-3,5-dihydroxyphenyl]methyl}-4-hydroxypyran-2-one
3,7,9,20-tetrahydroxy-17-methyl-16,21-dioxapentacyclo[15.3.1.0²,¹⁵.0⁴,¹³.0⁶,¹¹]henicosa-2(15),3,6,8,10,13-hexaene-5,12-dione
6-{[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy}-8-hydroxy-3-(hydroxymethyl)isochromen-1-one
5,6-dimethoxy-7-{[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}chromen-2-one
(4r,5r,7r)-5-chloro-4-ethenyl-3-isothiocyanato-4,8,8-trimethyl-14-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1,9(16),10,12,14-pentaen-15-ol
C21H21ClN2OS (384.10630460000004)
4-(3-acetyl-4,5,7,10-tetrahydroxyanthracen-2-yl)-3-hydroxybut-3-enoic acid
(9s,10s,11s)-11-chloro-4,8,9,10,12-pentahydroxy-9h,10h,11h-cyclohexa[j]fluoranthen-3-one
C20H13ClO6 (384.04006280000004)
(1r,2r)-2-hydroxy-1-{[(2e)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}propane-1,2,3-tricarboxylic acid
(9r,10e)-11-[(2s,3s)-3-[(2z)-5-bromopent-2-en-4-yn-1-yl]oxiran-2-yl]-9-hydroxyundec-10-enoic acid
(9s,10e)-11-[(2s,3s)-3-[(2z)-5-bromopent-2-en-4-yn-1-yl]oxiran-2-yl]-9-hydroxyundec-10-enoic acid
5-hydroxy-4-oxo-2-phenylchromen-7-yl (2e)-3-phenylprop-2-enoate
(1s,6s,7r)-4-chloro-7-hydroxy-2',4',11-trioxaspiro[tricyclo[4.4.1.0¹,⁶]undecane-2,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),3,5',7',9',11'-hexaene-5,10-dione
C20H13ClO6 (384.04006280000004)