Exact Mass: 320.0888006
Exact Mass Matches: 320.0888006
Found 500 metabolites which its exact mass value is equals to given mass value 320.0888006,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Coptisine
C19H14NO4+ (320.09227840000005)
Coptisine is an alkaloid. It has a role as a metabolite. Coptisine is a natural product found in Fumaria capreolata, Fumaria muralis, and other organisms with data available. See also: Sanguinaria canadensis root (part of); Chelidonium majus flowering top (part of). A natural product found in Coptis japonica.
Phenolphthalin
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D010635 - Phenolphthaleins CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3788; ORIGINAL_PRECURSOR_SCAN_NO 3786 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3838; ORIGINAL_PRECURSOR_SCAN_NO 3835 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3790; ORIGINAL_PRECURSOR_SCAN_NO 3789 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX507; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3797; ORIGINAL_PRECURSOR_SCAN_NO 3795 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3856; ORIGINAL_PRECURSOR_SCAN_NO 3855 CONFIDENCE standard compound; INTERNAL_ID 1288; DATASET 20200303_ENTACT_RP_MIX504; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 3849; ORIGINAL_PRECURSOR_SCAN_NO 3846
Articaine HCl
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D000777 - Anesthetics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C245 - Anesthetic Agent
2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits. 2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is a constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. Constituent of Musa acuminata (dwarf banana) infected with Colletotrichum musae. 2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one is found in fruits.
7-Hydroxy-6-methoxy-alpha-pyrufuran
7-Hydroxy-6-methoxy-alpha-pyrufuran is found in fruits. 7-Hydroxy-6-methoxy-alpha-pyrufuran is a constituent of the sapwood of Mespilus germanica (European medlar). Constituent of the sapwood of Mespilus germanica (European medlar). 7-Hydroxy-6-methoxy-alpha-pyrufuran is found in fruits.
3-p-Coumaroyl-1,5-quinolactone
3-p-Coumaroyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
4-p-Coumaroyl-1,5-quinolactone
4-p-Coumaroyl-1,5-quinolactone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
N(4)-Acetylsulfamethazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
C16H11F3N2O2 (320.07725819999996)
7-(Benzyloxy)-4-(trifluoromethyl)-2H-chromen-2-one
(S)-4-(2,4-Difluoro-5-(pyrimidin-5-yl)phenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
C15H14F2N4S (320.09071880000005)
N-Acetylsulfamethazine
D000890 - Anti-Infective Agents > D013424 - Sulfanilamides
4'-Methylepigallocatechin
A polyphenol metabolite detected in biological fluids [PhenolExplorer]
4-coumaroylshikimate
4-coumaroylshikimate is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4-coumaroylshikimate can be found in a number of food items such as arctic blackberry, spinach, prickly pear, and java plum, which makes 4-coumaroylshikimate a potential biomarker for the consumption of these food products.
Corylin
Corylin is a natural product found in Ulex airensis, Erythrina sacleuxii, and other organisms with data available. Corylin is an important bioactive compound isolated from psoralen; an antibiotic or anticancer compound. Corylin is an important bioactive compound isolated from psoralen; an antibiotic or anticancer compound.
(+)-Rubiginone B2; X-14881C; 8-O-Methyl-ochramycinone
3,4-Dihydrospiro[naphthalene-1(2H),2-naphtho[1,8-de][1,3]dioxin]-4,5-diol
4-benzoyloxymethyl-3,8-dioxatricyclo[5.1.0.02,4]octane-5,6-diol 5-acetate
cis-2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2H-1-Benzopyran-3,5,7-triol
Gallocatechin 4-methyl ether
Ourateacatechin
N4-acetylsulfamethazine
A sulfonamide that is benzenesulfonamide substituted by an acetylamino group at position 4 and a 4,6-dimethyl-pyrimidin-2-yl group at the nitrogen atom. It is a metabolite of the antibiotic sulfamethazine. D000890 - Anti-Infective Agents > D013424 - Sulfanilamides CONFIDENCE standard compound; EAWAG_UCHEM_ID 247 EAWAG_UCHEM_ID 247; CONFIDENCE standard compound CONFIDENCE standard compound; INTERNAL_ID 2012
Methyl 2-cyano-3-{1-[4-(trifluoromethyl)phenyl]-1H-pyrrol-2-yl}acrylate
C16H11F3N2O2 (320.07725819999996)
1-(3-methoxyphenyl)-3-(methyl-oxo-phenyl-$l^{6}-sulfanylidene)thiourea
C15H16N2O2S2 (320.06531559999996)
barceloneic acid A
D000893 - Anti-Inflammatory Agents > D000894 - Anti-Inflammatory Agents, Non-Steroidal > D012459 - Salicylates
(-)-2,3-cis-3,4-cis-4-methoxy-3,3,4,7,8-pentahydroxyflavan
t-butyl 3-[(1-methylthiopropyl)thio]-2-propenyl malonate
3,5,7,3,5-Pentahydroxy-4-methoxy-(-)-epicatechin (richtig aber: 5-Hydroxy-(-)-epicatechin-4-methylaether)|(-)-4-methylepigallocatechin|4-O-methyl-(-)-epigallocatechin|4-O-methyl-epigallocatechin|4-O-methylepigallocatechin|Ourateacatechin
7-methoxy-6-[1,4-dihydro-3-methyl-3-methoxy-2-hydroxy-4-oxo-1-furanyl]coumarin|micromeloside B
(3R*,4R*)-3-(3,4-dihydroxybenzyl)-3,4,7,8-tetrahydroxychroman|epihaematoxylol
7-Hexanoyl-2,5,7,8-tetrahydroxy-1,4-naphthoquinone
2,3-Dihydro-3,9-dihydroxy-4-phenyl-5-methoxy-1H-phenalene-1-one
1,4,8-Trihydroxy-3-methyl-9-oxo-3,4-dihydro-2H-xanthene-4a(9H)-carboxylic acid methyl ester
5,6-anhydrolandomycinone
A natural product found in Streptomyces cyanogenus.
3-(4-hydroxyphenyl)-2,3-dihydroxy-1-(4,6-dihydroxy-2-methoxyphenyl)-1-propanone|7-3028/6
(1R,3S)-5,10-dihydroxy-1-methyl-6,9-dioxo-3,4,6,7,8,9-hexahydro-1H-naphtho[2,3-c]pyran-3-yl acetic acid
2-(3,4-dihydroxy-phenyl)-7-methoxy-chroman-3,4,5-triol
7-methoxy-8-(1S*,3-dihydroxy-2S*-acetyl-3-butenyl)coumarin|omphalocarpinol
5-Hydroxy-6,6-dimethylpyrano<2,3:7,6>flavon|5-hydroxy-6,6-dimethylpyrano<3,2:6,7>flavone|5-Hydroxy-8,8-dimethyl-2-phenyl-2H,6H-benzo[1,2-b:5,4-b]dipyran-6-one,9CI|5-hydroxy-8,8-dimethyl-2-phenyl-8H-pyrano[3,2-g]chromen-4-one
8-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan
4-Hydroxy-3-methoxy-5-phenyl-1,8-naphthalic anhydride
1-N-beta-D-ribofuranosyldamirone C|N-1-beta-D-ribofuranosyldamirone C
2-(2-Methyl-2-propenoyl),2-Ac,Me ester-2-Hydroxy-5-(hydroxyacetyl)benzoic acid|caleteucrifolone
(E)-2,5-dihydroxy-7-methoxy-3-methoxymethylene-2-(2-oxopropyl)-2,3-dihydro[1,4]naphthoquinone|ascomycone C
2-hydroxy-6-[2-hydroxy-6-(hydroxymethyl)-4-methoxyphenoxy]-4-methylbenzoic acid
Ala Ala Cys Gly
C11H20N4O5S (320.11543500000005)
Ala Ala Gly Cys
C11H20N4O5S (320.11543500000005)
Ala Cys Ala Gly
C11H20N4O5S (320.11543500000005)
Ala Cys Gly Ala
C11H20N4O5S (320.11543500000005)
Ala Gly Ala Cys
C11H20N4O5S (320.11543500000005)
Ala Gly Cys Ala
C11H20N4O5S (320.11543500000005)
Cys Ala Ala Gly
C11H20N4O5S (320.11543500000005)
Cys Ala Gly Ala
C11H20N4O5S (320.11543500000005)
Cys Gly Ala Ala
C11H20N4O5S (320.11543500000005)
Gly Ala Ala Cys
C11H20N4O5S (320.11543500000005)
Gly Ala Cys Ala
C11H20N4O5S (320.11543500000005)
Gly Cys Ala Ala
C11H20N4O5S (320.11543500000005)
Gly Gly Gly Met
C11H20N4O5S (320.11543500000005)
Gly Gly Met Gly
C11H20N4O5S (320.11543500000005)
Gly Met Gly Gly
C11H20N4O5S (320.11543500000005)
Met Gly Gly Gly
C11H20N4O5S (320.11543500000005)
Fenirofibrate
C17H17ClO4 (320.08153120000003)
C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent > C98150 - Fibrate Antilipidemic Agent
Gly-His-OH
C13H12N4O6 (320.07568119999996)
3-Coumaroylquinic acid lactone
4-Coumaroylquinic acid lactone
7-Hydroxy-6-methoxy-a-pyrufuran
2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one
1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]PIPERAZINE
4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]benzoic acid
C16H11F3N2O2 (320.07725819999996)
N-[5-Acetyl-2-(benzyloxy)phenyl]sulfuric diamide
C15H16N2O4S (320.08307360000003)
[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]methanol
Benzenamine,N,N-(1,4-phenylenedimethylidyne)bis[4-fluoro- (9CI)
C20H14F2N2 (320.11249879999997)
3-(3-amino-1-(4-chlorophenyl)butan-2-yl)benzonitrile HCl salt
Etomoxir (Na salt)
C15H18ClNaO4 (320.07912580000004)
Etomoxir((R)-(+)-Etomoxir) sodium salt is an irreversible inhibitor of carnitine palmitoyltransferase 1a (CPT-1a), inhibits fatty acid oxidation (FAO) through CPT-1a and inhibits palmitate β-oxidation in human, rat and guinea pig[1].
9,10-DIMETHOXY-2,3,4,6,7,11B-HEXAHYDRO-1H-PYRAZINO[2,1-A]ISOQUINOLINE DIHYDROCHLORIDE
C14H22Cl2N2O2 (320.10582519999997)
METHYL 3-(4-(ETHOXYCARBONYL)-3-FLUOROPHENYL)-2-FLUOROBENZOATE
Benzonitrile, 3-[(1R,2R)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, monohydrochloride, rel- (9CI)
(1S, 2S)-1,2-Bis(4-fluorophenyl)ethylenediamine dihydrochloride
bis(pentane-2,4-dionato-O,O)(propane-1,3-diolato-O,O)titanium
(Z)-4-butoxy-4-oxobut-2-enoic acid,chloroethene,ethenyl acetate
C14H21ClO6 (320.10265960000004)
BIS(2-METHYLALLYL)-1,5-CYCLOOCTADIENERUTHENIUM (II)
Benzyloxycarbonyl-L-alanine N-hydroxy succinimide ester
LY2811376
C15H14F2N4S (320.09071880000005)
4-[2-chloro-6-(3-nitrophenyl)pyrimidin-4-yl]morpholine
[4-(4-fluoro-phenyl)-piperazin-1-yl]-thiophen-3-yl-acetic acid
3-[(3-methoxyphenyl)methyl]-5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine
3-[(3-methoxyphenyl)methyl]-5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridine
promethazine hydrochloride
C17H21ClN2S (320.11138960000005)
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic D003879 - Dermatologic Agents > D000982 - Antipruritics D018926 - Anti-Allergic Agents
Promazine hydrochloride
C17H21ClN2S (320.11138960000005)
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent > C740 - Phenothiazine D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent D005765 - Gastrointestinal Agents > D000932 - Antiemetics
[4-(4-fluoro-phenyl)-piperazin-1-yl]-thiophen-2-yl-acetic acid
Benzonitrile, 3-[(1S,2S)-2-amino-1-[(4-chlorophenyl)methyl]propyl]-, hydrochloride (1:1)
1,4-Benzodioxin-2-methanol, 2,3-dihydro-, 4-methylbenzenesulfonate
C16H16O5S (320.07184060000003)
methyl 2,3,4-tri-o-acetyl-1-thio-beta-l-fucopyranoside
C13H20O7S (320.09296900000004)
5-Chloro-2-methyl-4-(trifluoromethyl)phenylboronic acid, pinacol ester
(4R,5R)-2-Chloro-1,3-dimethyl-4,5-diphenyl-1-imidazolinium Chloride
ETHYL 2-(2-(((BENZYLOXY)CARBONYL)AMINO)THIAZOL-4-YL)ACETATE
C15H16N2O4S (320.08307360000003)
1-Butanesulfonamide,N-[4-(4-cyano-2,5-dihydro-5-oxo-3-furanyl)phenyl]-
C15H16N2O4S (320.08307360000003)
(2,5-dioxopyrrolidin-1-yl) 2-(phenylmethoxycarbonylamino)propanoate
Benzyloxycarbonyl-D-alanine N-hydroxysuccinimide ester
2-(4-AMINO-BENZENESULFONYLAMINO)-3-PHENYL-PROPIONIC ACID
C15H16N2O4S (320.08307360000003)
2-[4-Aminosulfonyl-phenyl]-ethyl-5-methylpyrazinecarboxamide
lithium,1,2-bis(ethenyl)benzene,2-ethenylbenzenesulfonate
C18H17LiO3S (320.10584020000005)
methyl 12-hydroxy-6-oxonaphtho[1,2-c]isochromene-11-carboxylate
2-thia-6-azaspiro[3.3]heptane hemioxalate
C12H20N2O4S2 (320.08644400000003)
(2R,5S,13aR)-8-methoxy-7,9-dioxo-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxylic acid
(3-((5-Ethoxy-5-oxopentyl)oxy)-2,4,6-trifluorophenyl)boronic acid
N-(3-ethynylphenyl)-7-methoxy-6-nitroquinazolin-4-amine
[4-(4-chloro-phenyl)-piperazin-1-yl]-furan-2-yl-acetic acid
C16H17ClN2O3 (320.09276420000003)
4-amino-N-[3-[(2-hydroxyethyl)sulphonyl]phenyl]benzamide
C15H16N2O4S (320.08307360000003)
METHYL 5-(2-METHOXY-2-OXOETHYL)-1-(4-NITROPHENYL)-1H-1,2,3-TRIAZOLE-4-CARBOXYLATE
C13H12N4O6 (320.07568119999996)
4-(5-(3-(TRIFLUOROMETHYL)PHENYLAMINO)-4H-1,2,4-TRIAZOL-3-YL)PHENOL
C15H11F3N4O (320.08849119999996)
Encenicline
C78272 - Agent Affecting Nervous System > C47796 - Cholinergic Agonist > C73579 - Nicotinic Agonist
Timepidium
C78272 - Agent Affecting Nervous System > C66880 - Anticholinergic Agent > C29704 - Antimuscarinic Agent
Tert-Butyl {2-[(1,3-Thiazol-2-Ylamino)carbonyl]pyridin-3-Yl}carbamate
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
C16H11F3N2O2 (320.07725819999996)
7-(Benzyloxy)-4-(trifluoromethyl)-2H-chromen-2-one
(-)-Microdiplodiasolol
A member of the class of xanthones that is 4a,9a-dihydro-1H-xanthene-2,9-dione substituted by hydroxy groups at positions 1, 8 and 9a, a methoxy group at position 4 and methyl groups at positions 4a and 6 (the 1S,4aS,9aS stereoisomer). Isolated from Microdiplodia species, it exhibits antibacterial activity.
N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-6-sulfonamide
2-[(6-Butoxypyridin-3-yl)amino]-4-chlorobenzoic acid
C16H17ClN2O3 (320.09276420000003)
N-[4-[(4-hydroxyphenyl)-methylsulfamoyl]phenyl]acetamide
C15H16N2O4S (320.08307360000003)
[3-Methyl-4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-thiophen-2-ylmethanone
C15H16N2O2S2 (320.06531559999996)
(7R,8R)-Alpha-Diversonolic Ester
A member of the class of xanthones that is methyl 2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate substituted by hydroxy groups at positions 1, 2 and 8, a methyl group at position 6 and an oxo group at position 9 (the 1R,2R stereoisomer). It has been isolated from the sea fan derived fungus Aspergillus sydowii.
3-(2-chloro-5-oxo-10-phenothiazinyl)-N-methyl-1-propanamine
8-Chloro-10-[3-(methylamino)propyl]-10h-phenothiazin-3-ol
5-(4-Methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
C15H16N2O2S2 (320.06531559999996)
N,N-diethylcarbamodithioic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester
5-[2-Furanyl(4-morpholinyl)methyl]-2-methyl-6-thiazolo[3,2-b][1,2,4]triazolol
5-Hydroxy-8,8-dimethyl-4-phenylpyrano[2,3-h]chromen-2-one
N-(5-Phosphopyridoxyl)-D-alanine
C11H17N2O7P (320.07733420000005)
An alanine derivative arising from reductive N-alkylation of D-alanine by pyridoxal-5-phosphate.
N-(5-Phosphopyridoxyl)-L-alanine
C11H17N2O7P (320.07733420000005)
An alanine derivative arising from reductive N-alkylation of L-alanine by pyridoxal-5-phosphate.
N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
N-[2-(4-Amino-5,8-difluoro-1,2-dihydroquinazolin-2-YL)ethyl]-3-furamide
N-(oxan-4-ylmethyl)-5-thiophen-2-ylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
C14H16N4OS2 (320.07654859999997)
2-(6-methyl-2-pyridyl)-N-pyrimidin-4-yl-thieno[3,2-d]pyrimidin-4-amine
C16H12N6S (320.08441120000003)
6-[5-(4-fluorophenoxy)pyridin-3-yl]-1H-benzimidazol-2-amine
gamma-L-Glutamyl-L-cysteinyl-beta-alanine
C11H18N3O6S- (320.09162680000003)
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate
[4-(6-Methylheptanoyl)-5-oxo-2,5-dihydrofuran-3-yl]methyl phosphate
A butenolide that is (5-oxo-2,5-dihydrofuran-3-yl)methyl phosphate carrying an additional 6-methylheptanoyl substituent at position 4.
[(3S,4R)-4-(octanoyl)-5-oxooxolan-3-yl]methyl phosphate
2-Amino-4-oxo-4-alpha-hydroxy-6-(erythro-1,2,3-trihydroxypropyl)-5,6, 7,8-tetrahydroxypterin
[(2R,3S,4R,5R)-3,4-dihydroxy-5-(4-methylphenoxy)oxolan-2-yl]methyl dihydrogen phosphate
C12H17O8P (320.06610120000005)
(4-octanoyl-5-oxo-2H-furan-3-yl)methyl dihydrogen phosphate
3-[[(1S)-4-amino-1-carboxy-4-oxobutyl]carbamoyl]-3-hydroxypentanedioic acid
C11H16N2O9 (320.08557659999997)
(3r,4s,5r)-3,4-Dihydroxy-5-{[(2e)-3-(4-Hydroxyphenyl)prop-2-Enoyl]oxy}cyclohex-1-Ene-1-Carboxylic Acid
(E)-6,6,6-trifluoro-5-hydroxy-1,5-diphenylhex-1-en-3-one
3-(4-chlorophenyl)-6-(4-methyl-1-piperazinyl)-1H-pyrimidine-2,4-dione
2-[(3-Oxo-5-phenyl-1,2-dihydropyrazol-4-yl)-(3-thiophenyl)methyl]propanedinitrile
C17H12N4OS (320.07317820000003)
5-[[(4-methoxyanilino)-sulfanylidenemethyl]amino]-1H-pyrazole-4-carboxylic acid ethyl ester
3-Benzyl-6-(2-phenylethyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
2-oxo-4-phenyl-6-(phenylmethylthio)-3,4-dihydro-1H-pyridine-5-carbonitrile
2-(3-Methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
C16H11F3N2O2 (320.07725819999996)
7-chloro-3-[2-(1-cyclohexenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
1-(1,2,3-Benzothiadiazol-5-yl)-3-(1-naphthalenyl)urea
C17H12N4OS (320.07317820000003)
N-(2-methoxyethyl)-1-methyl-2-oxo-6-benzo[cd]indolesulfonamide
C15H16N2O4S (320.08307360000003)
4-(2-furanyl)-N-(3-pyridinylmethyl)-6-(trifluoromethyl)-2-pyrimidinamine
C15H11F3N4O (320.08849119999996)
1-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[(1-propan-2-yl-5-tetrazolyl)thio]ethanone
6-[5-[[2-(4-Morpholinyl)-2-oxoethyl]thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,4-dienone
1-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidinecarboxamide
1-Naphthalen-2-yl-2-(9H-purin-6-ylsulfanyl)-ethanone
C17H12N4OS (320.07317820000003)
(2S,5R,6R)-6-[(4-hydroxybenzylidene)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
C15H16N2O4S (320.08307360000003)
Ascomycotin A
An organic heterotricyclic compound that is 3,4-dihydro-2H,5H-pyrano[3,2-c]chromene substituted by methyl, oxo, hydroxy, methoxy and methoxycarbonyl groups at positions 2R, 4, 7, 8 and 10, respectively. It is isolated from the fungal strain Ascomycota sp. Ind19F07, which was isolated from the deep sea sediment of the Indian Ocean.
N,N-dimethyl-3-phenothiazin-10-ylpropan-1-amine;hydron;chloride
C17H21ClN2S (320.11138960000005)
[(E)-1-(4-methoxyphenyl)-3-phenylprop-2-enyl] hydrogen sulate
C16H16O5S (320.07184060000003)
N-[(Z)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
[(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl phosphate(2-)
A [(3S,4R)-4-alkanoyl-5-oxooxolan-3-yl]methyl phosphate(2-) obtained by deprotonation of the phosphate OH groups of [(3S,4R)-4-(6-methylheptanoyl)-5-oxooxolan-3-yl]methyl dihydrogen phosphate; major species at pH 7.3.
tetrodotoxin(1+)
An iminium ion resulting from the protonation of the imine group of tetrodotoxin; major species at pH 7.3.
6beta-[(p-hydroxybenzylidene)amino]penicillanic acid
C15H16N2O4S (320.08307360000003)
Penicillanic acid carrying a (p-hydroxybenzylidene)amino substituent at the 6beta position. It has been used as a hapten in the production of a generic monoclonal antibody for determining penicillin residues in milk.
4-O-Methylepigallocatechin
A natural product found in Parapiptadenia rigida.
methyl 1,2,8-trihydroxy-6-methyl-9-oxo-3,4-dihydro-2h-xanthene-1-carboxylate
methyl (3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
methyl (1s,2s)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
2-(3,4-dihydroxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
methyl 4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
6-(3-hydroxy-4-methoxy-4-methyl-5-oxooxolan-2-yl)-7-methoxychromen-2-one
18-hydroxy-7-methoxy-16-methyl-10-oxatetracyclo[9.8.0.0³,⁸.0¹⁴,¹⁹]nonadeca-1(11),3(8),4,6,12,14,16,18-octaen-2-one
2-(3-methanesulfinylnona-1,3-dien-5,7-diyn-1-yl)oxan-3-yl acetate
C17H20O4S (320.10822400000006)
5,7,9,10-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
(4r,4ar,9ar)-4,8,9a-trihydroxy-3-methoxy-4a,6-dimethyl-4h-xanthene-1,9-dione
6,9-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxochromen-3-yl]-2-methylbutane-1,3-dione
methyl (2s,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
4,5-dihydroxy-3-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
methyl (2r)-5-hydroxy-7-methyl-4-oxo-2-[(2s)-5-oxooxolan-2-yl]-3h-1-benzopyran-2-carboxylate
3,9-dihydroxy-5-methoxy-4-phenyl-2,3-dihydrophenalen-1-one
methyl 2,3,8-trihydroxy-6-methyl-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
(2s,3r)-2-[(1e,3e)-3-[(r)-methanesulfinyl]nona-1,3-dien-5,7-diyn-1-yl]oxan-3-yl acetate
C17H20O4S (320.10822400000006)
(1r,3s)-5,8,10-trihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
8-hydroxy-7-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
3-methoxy-2-(4-methoxyphenyl)-5-phenylcyclohexa-2,5-diene-1,4-dione
(1s,2s,3s)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
8-hydroxy-2,3,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-5-one
4-(2,3-dihydroxy-3-methylbutoxy)-9-hydroxyfuro[3,2-g]chromen-7-one
4-hydroxy-5-[(8-hydroxynaphthalen-1-yl)oxy]-3,4-dihydro-2h-naphthalen-1-one
methyl (3s,4r,4ar)-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
methyl (2e)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
3-[(1e)-2-{4'-hydroxy-5-methoxy-[1,1'-biphenyl]-2-yl}ethenyl]pyran-2-one
3,5,6,8-tetrahydroxy-7-(3-oxohexyl)naphthalene-1,2-dione
3,5,6,10-tetramethoxy-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),3,5,10,12-hexaene-4,11-diol
4,8,10-trihydroxy-2,10,11,12-tetrahydro-1h-perylen-3-one
4-[(2r)-2,3-dihydroxy-3-methylbutoxy]-9-hydroxyfuro[3,2-g]chromen-7-one
(2r,3r,4s)-2-(3,4-dihydroxyphenyl)-8-methoxy-3,4-dihydro-2h-1-benzopyran-3,4,7-triol
1-(2e)-3-[(2r)-butan-2-yldisulfanyl]prop-2-en-1-yl 3-tert-butyl propanedioate
(2s,3s)-2,3-dihydroxy-4-(4-methoxyphenyl)-2,3-dihydrophenalen-1-one
(1r,2r,3r)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
4,8,9a-trihydroxy-3-methoxy-4a,6-dimethyl-4h-xanthene-1,9-dione
1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl acetate
(2s)-1-[7,8-dihydroxy-5-(hydroxymethyl)-6-methyl-2-oxochromen-3-yl]-2-methylbutane-1,3-dione
3,6,9-trihydroxy-8-phenyl-3,4-dihydro-2h-anthracen-1-one
3,8-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
methyl 4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
methyl 2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
(3ar,8as)-6-bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indole
(1r,13r)-15-methoxy-6-methyl-12,20-dioxapentacyclo[11.6.1.0²,¹¹.0³,⁸.0¹⁴,¹⁹]icosa-2(11),3,5,7,9,14(19),15,17-octaen-4-ol
(2r,3's)-3'-(hydroxymethyl)-4-methoxy-3'-[(2r,3r)-3-methyl-5-oxooxolan-2-yl]spiro[1-benzofuran-2,2'-oxiran]-3-one
(1r)-dispiro[cyclopentane-1,2'-pyran-3',3''-[2,4]dioxatricyclo[7.3.1.0⁵,¹³]tridecane]-1''(13''),3,5'',7'',9'',11''-hexaene-2,6'-dione
(1s)-1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl acetate
(1r,10r,11r,15r)-4-hydroxy-15-methyl-13-oxo-9,14,16-trioxatetracyclo[8.6.0.0³,⁸.0¹¹,¹⁵]hexadeca-3,5,7-trien-6-yl acetate
methyl (2s,3e)-2-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
(3s)-6,9-dihydroxy-3,7-dimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
5-hydroxy-8,8-dimethyl-2-phenylpyrano[3,2-g]chromen-4-one
1,4,6,7-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-9,10-dione
(2r,3r,4r)-2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4,7,8-tetrol
methyl 5-hydroxy-7-methyl-4-oxo-2-(5-oxooxolan-2-yl)-3h-1-benzopyran-2-carboxylate
methyl (3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
methyl (2e)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
dispiro[cyclopentane-1,2'-pyran-3',3''-[2,4]dioxatricyclo[7.3.1.0⁵,¹³]tridecane]-1''(13''),3,5'',7'',9'',11''-hexaene-2,6'-dione
methyl 7-hydroxy-1-methoxy-3-methyl-10-oxo-1h,3h,4h-pyrano[4,3-b]chromene-9-carboxylate
(3r)-3,6,9-trihydroxy-8-phenyl-3,4-dihydro-2h-anthracen-1-one
5-hydroxy-4,12b-dimethyl-1,2-dihydrotetraphene-6,8,11-trione
12-hydroxy-4-methoxy-5-phenyl-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),2(7),4,9,11-pentaene-3,6-dione
(1s,2r,3s)-1,2,3,8-tetrahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
(5s,7s)-1,4,5,7-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-9,10-dione
methyl (2e,4s)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
bis(5-hydroxy-1h-indol-3-yl)ethane-1,2-dione
C18H12N2O4 (320.07970320000004)
2-{[1-hydroxy-2-(2-hydroxy-3h-indol-3-yl)ethylidene]amino}-4-methoxy-4-oxobutanoic acid
(2s,3r)-2-[(1e,3z)-3-[(r)-methanesulfinyl]nona-1,3-dien-5,7-diyn-1-yl]oxan-3-yl acetate
C17H20O4S (320.10822400000006)
1,2,3,8-tetrahydroxy-6-methoxy-3-methyl-2,4-dihydro-1h-anthracene-9,10-dione
5,7,18,20-tetraoxa-13λ⁵-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁷,²¹]tetracosa-1(24),2,4(8),9,13,15,17(21),22-octaen-13-ylium
[C19H14NO4]+ (320.09227840000005)
8-(acetyloxy)-5-formyl-3,7-dimethyl-6-oxo-8h-isochromen-7-yl acetate
4,5,6,7-tetrahydroxy-3-(3-oxohexyl)naphthalene-1,2-dione
7-(prop-1-en-2-yl)-6,11,19-trioxapentacyclo[10.8.0.0²,¹⁰.0⁵,⁹.0¹³,¹⁸]icosa-2,4,7,9,13,15,17-heptaen-16-ol
5,6,7,9-tetrahydroxy-2-methoxy-7-methyl-6,8-dihydro-5h-anthracene-1,4-dione
methyl (4s,4ar)-4,8,9-trihydroxy-6-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
2-[(3r,4s,5r)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,7-diazatricyclo[6.3.1.0⁴,¹²]dodeca-1(12),3,8-triene-10,11-dione
methyl (2r,3e)-2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
methyl (3r,4s,4as)-4,8,9-trihydroxy-3-methyl-1-oxo-3,4-dihydro-2h-xanthene-4a-carboxylate
(7r,8s)-8-(acetyloxy)-5-formyl-3,7-dimethyl-6-oxo-8h-isochromen-7-yl acetate
3,5-dihydroxy-4-{[3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
(8r,8as)-8-hydroxy-2,3,8,8a-tetrahydro-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-5-one
methyl (1r,2s)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-1,2,3,4-tetrahydroxanthene-1-carboxylate
methyl (2e,4s)-4-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
methyl 5-hydroxy-2-(3-methyl-5-oxooxolan-2-yl)-4-oxo-3h-1-benzopyran-2-carboxylate
{2-[6-bromo-1-(3-methylbut-2-en-1-yl)indol-3-yl]ethyl}(methyl)amine
(10r)-4,8,10-trihydroxy-2,10,11,12-tetrahydro-1h-perylen-3-one
(3r,4s,5r)-3,5-dihydroxy-4-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
2-(3,4-dihydroxy-5-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
2-(3-hydroxy-4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,4,7,8-tetrol
5-hydroxy-8,8-dimethyl-2-phenylpyrano[2,3-f]chromen-4-one
(3as,8ar)-6-bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indole
methyl (1r,3s)-7-hydroxy-1-methoxy-3-methyl-10-oxo-1h,3h,4h-pyrano[4,3-b]chromene-9-carboxylate
7-hydroxy-8-methoxy-10-phenyl-3-oxatricyclo[7.3.1.0⁵,¹³]trideca-1(13),5,7,9,11-pentaene-2,4-dione
(3r,4s,5r)-4,5-dihydroxy-3-{[(2e)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}cyclohex-1-ene-1-carboxylic acid
(1r,2r,3s)-1,2,3,5-tetrahydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
5-hydroxy-7-methoxy-8-(4-methoxy-5-oxooxolan-2-yl)-2-methylchromen-4-one
(2s,3's)-3'-(hydroxymethyl)-4-methoxy-3'-[(2r,3r)-3-methyl-5-oxooxolan-2-yl]spiro[1-benzofuran-2,2'-oxiran]-3-one
4,7-dihydroxy-2h-2',4'-dioxaspiro[indene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaen-3-one
methyl (11s,12s)-7,12-dihydroxy-13-methyl-9-oxo-2,15-dioxatricyclo[8.5.0.0³,⁸]pentadeca-3,5,7,13-tetraene-11-carboxylate
(4r,4as,9as)-4,8,9a-trihydroxy-3-methoxy-4a,6-dimethyl-4h-xanthene-1,9-dione
methyl (2e,4r)-4-hydroxy-4-(8-hydroxy-7-methoxy-2-oxochromen-3-yl)-2-methylbut-2-enoate
(4s)-3,4-dihydro-2h-2',4'-dioxaspiro[naphthalene-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),5',7',9',11'-pentaene-4,5-diol
6-bromo-1-methyl-3a-(2-methylbut-3-en-2-yl)-2h,3h,8h,8ah-pyrrolo[2,3-b]indole
methyl 2-hydroxy-4-(7-hydroxy-8-methoxy-2-oxochromen-3-yl)-2-methylbut-3-enoate
3,6-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
5,7,17,19-tetraoxa-13λ⁵-azahexacyclo[11.11.0.0²,¹⁰.0⁴,⁸.0¹⁵,²³.0¹⁶,²⁰]tetracosa-1(24),2,4(8),9,13,15,20,22-octaen-13-ylium
[C19H14NO4]+ (320.09227840000005)
methyl (1r,2r)-1,2,8-trihydroxy-6-methyl-9-oxo-3,4-dihydro-2h-xanthene-1-carboxylate
5,8,10-trihydroxy-7-methoxy-1,3-dimethyl-1h,3h,4h-naphtho[2,3-c]pyran-6,9-dione
(3s)-3,6-dihydroxy-7,9-dimethoxy-3-methyl-1h,4h-naphtho[2,3-c]pyran-5,10-dione
2-(3,5-dihydroxy-4-methoxyphenyl)-3,4-dihydro-2h-1-benzopyran-3,5,7-triol
(2r)-2-({1-hydroxy-2-[(3s)-2-hydroxy-3h-indol-3-yl]ethylidene}amino)-4-methoxy-4-oxobutanoic acid
(2'r)-2'-hydroxydispiro[bis(cyclopentane)-1,1':3',3''-[2,4]dioxatricyclo[7.3.1.0⁵,¹³]tridecane]-1''(13''),3,4',5'',7'',9'',11''-heptaene-2,5-dione
(1s,2r,4r)-1,2,4,5-tetrahydroxy-7-methoxy-2-methyl-3,4-dihydro-1h-anthracene-9,10-dione
4-{4-oxo-2',4'-dioxaspiro[cyclopentane-1,3'-tricyclo[7.3.1.0⁵,¹³]tridecane]-1'(13'),2,5',7',9',11'-hexaen-5-ylidene}but-2-enoic acid
2-[(1e)-3-methanesulfinylnona-1,3-dien-5,7-diyn-1-yl]oxan-3-yl acetate
C17H20O4S (320.10822400000006)