Exact Mass: 362.0902674
Exact Mass Matches: 362.0902674
Found 479 metabolites which its exact mass value is equals to given mass value 362.0902674,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Chelirubine
C21H16NO5+ (362.10284260000003)
A benzophenanthridine alkaloid that is sanguinarine bearing a methoxy substituent at position 10.
Fosphenytoin
Fosphenytoin is a water-soluble phenytoin prodrug used only in hospitals for the treatment of epileptic seizures. It works by slowing down impulses in the brain that cause seizures. Its main mechanism is to block frequency-dependent, use-dependent and voltage-dependent neuronal sodium channels, and therefore limit repetitive firing of action potentials. N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D049990 - Membrane Transport Modulators
Catalpol
Catalpol is an organic molecular entity. It has a role as a metabolite. Catalpol is a natural product found in Verbascum lychnitis, Plantago atrata, and other organisms with data available. See also: Rehmannia glutinosa Root (part of). Catalpol (Catalpinoside), an iridoid glycoside found in Rehmannia glutinosa. Catalpol has neuroprotective, hypoglycemic, anti-inflammatory, anti-cancer, anti-spasmodic, anti-oxidant effects and anti-HBV effects[1][2][3]. Catalpol (Catalpinoside), an iridoid glycoside found in Rehmannia glutinosa. Catalpol has neuroprotective, hypoglycemic, anti-inflammatory, anti-cancer, anti-spasmodic, anti-oxidant effects and anti-HBV effects[1][2][3].
Nagilactone C
Nagilactone is a natural product found in Podocarpus hallii, Afrocarpus gracilior
gibberellin A8-catabolite
A tetracyclic diterpenoid obtained by catabolism of gibberellin A8.
1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one
C15H8F6N2O2 (362.04899399999994)
AZD7762
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor
Phthalylsulfacetamide
C16H14N2O6S (362.05725440000003)
C254 - Anti-Infective Agent > C29739 - Sulfonamide Anti-Infective Agent C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent
Gibberellin A21
Gibberellin A21 (GA21) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A21 is found in pulses. Gibberellin A21 is a constituent of the immature seeds of Canavalia gladiata (sword bean). Constituent of the immature seeds of Canavalia gladiata (sword bean). Gibberellin A21 is found in pulses.
5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one
2-O-Galloylgalactaric acid
2-O-Galloylgalactaric acid is found in fruits. 2-O-Galloylgalactaric acid is a constituent of the fruit of emblic (Phyllanthus emblica). Constituent of the fruit of emblic (Phyllanthus emblica). 2-Galloylgalactaric acid is found in fruits.
Zanthobisquinolone
Zanthobisquinolone is found in fruits. Zanthobisquinolone is an alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Alkaloid from root wood of Zanthoxylum simulans (Szechuan pepper). Zanthobisquinolone is found in herbs and spices and fruits.
Gibberellin A87
Gibberellin A87 (GA87) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A87 is found in fruits. Gibberellin A87 is a constituent of Prunus avium (wild cherry). Constituent of Prunus avium (wild cherry). Gibberellin A87 is found in many foods, some of which are sour cherry, peach, sweet cherry, and fruits.
Diosbulbin C
Diosbulbin C is found in root vegetables. Diosbulbin C is a constituent of Dioscorea bulbifera (air potato). Constituent of Dioscorea bulbifera (air potato). Diosbulbin C is found in root vegetables.
Gibberellin A93
Gibberellin A93 (GA93) belongs to the class of organic compounds known as C19-gibberellin 6-carboxylic acids. These are C19-gibberellins with a carboxyl group at the 6-position. Gibberellin A93 is found in cereals and cereal products. Gibberellin A93 is a constituent of Triticum aestivum (wheat). Constituent of Triticum aestivum (wheat). Gibberellin A93 is found in wheat, cereals and cereal products, and common wheat.
2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan
2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is found in fruits. 2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is a constituent of the roots of Muntingia calabura (Jamaica cherry). Constituent of the roots of Muntingia calabura (Jamaica cherry). 2,8-Dihydroxy-3,4,5,7-tetramethoxyflavan is found in fruits.
(2R,3S,4R,5R,6S)-2-[[(1R,2R,4R,5R,6S,10R)-5-Hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
3-(5-Methylisoxazol-3-yl)-6-[(1-methyl-1H-1,2,3-triazol-4-yl)methoxy][1,2,4]triazolo[3,4-a]phthalazine
α5IA (L-822179) is a selective α5 GABAA receptor inverse agonist with neuroprotective potential[1].
5Z-7-Oxozeaenol
homocamptothecin
Marbofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic
Piretanide
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
Polyribophosphate
C10H19O12P (362.06141040000006)
3',6'-Dihydroxy-4,5-diaminospiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
2-Chloro-N-[[4-[(2-chloroanilino)methyl]cyclohexyl]methyl]aniline
C20H24Cl2N2 (362.13164439999997)
Pentazirinocyclodiphosphathiazene
Ligstroside-aglycone
Ligstroside-aglycone belongs to iridoids and derivatives class of compounds. Those are monoterpenes containing a skeleton structurally characterized by the presence of a cylopentane fused to a pyran ( forming a 4,7-dimethylcyclopenta[c]pyran), or a derivative where the pentane moiety is open. Ligstroside-aglycone is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Ligstroside-aglycone can be found in olive, which makes ligstroside-aglycone a potential biomarker for the consumption of this food product.
gibberellin A8-catabolite
Gibberellin a8-catabolite is a member of the class of compounds known as c19-gibberellin 6-carboxylic acids. C19-gibberellin 6-carboxylic acids are c19-gibberellins with a carboxyl group at the 6-position. Gibberellin a8-catabolite is slightly soluble (in water) and a weakly acidic compound (based on its pKa). Gibberellin a8-catabolite can be found in a number of food items such as chia, durian, pepper (c. annuum), and mung bean, which makes gibberellin a8-catabolite a potential biomarker for the consumption of these food products.
Danmelittoside
Monomelittoside is a natural product found in Plantago media, Stachys lavandulifolia, and other organisms with data available.
[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid
Samaderine B
A quassinoid isolated from Quassia indica and Samadera madagascariensis. It exhibits antimalarial and cytotoxic activities.
[3aS-(3aalpha,4alpha,4abeta,6alpha,9alpha,9aalpha,10beta,10aalpha)]-Dodecahydro-10-hydroxy-9a-methyl-3,5-bis(methylene)-2-oxo-6,9-epoxyfuro[2,3-h][3]benzoxepin-4-yl ester 2-methyl-2-propenoic acid
[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-4-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-7-benzofuranyl ester 2-methyl-2-propenoic acid
Chamanetin
Oxoafraglaucolide
[3aS-(3aR*,4R*,5R*,6S*,10R*,11aS*)]-2,3,3a,4,5,6,7,10,11,11a-Decahydro-5-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
2,7-Dihydroxy-1-(4-hydroxybenzoyl)4-methoxy-9,10-dihydrophenanthrene
[3aS-(3aalpha,4alpha,5alpha,9alpha,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
[3aS-(3aalpha,4alpha,5alpha,9beta,9aalpha,9bbeta)]-4,5-Bis(acetyloxy)-3a,4,5,9,9a,9b-hexahydro-9-hydroxy-6,9-dimethyl-3-methylene-azuleno[4,5-b]furan-2(3H)-one
5,8,3,4,5-Pentahydroxy-3,7-dimethoxyflavone
Isochamanetin
A natural product found in Piper sarmentosum.
Marbofloxacin
D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D024841 - Fluoroquinolones C254 - Anti-Infective Agent > C258 - Antibiotic > C795 - Quinolone Antibiotic CONFIDENCE standard compound; EAWAG_UCHEM_ID 3689 CONFIDENCE standard compound; INTERNAL_ID 1031
alpha-Aminoorcein
A member of the class of phenoxazines that is 1,9-dimethyl-3H-phenoxazin-3-one carrying additional amino and 2,4-dihydroxy-6-methylphenyl substituents at positions 7 and 8 respectively. A component of orcein, a mixture of dyes isolated from lichens.
[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Dicyclohexyl sulfosuccinate
CONFIDENCE standard compound; INTERNAL_ID 2497
6-O-trans-p-coumaroyl-3beta-O-methyl-7-deoxyrehmaglutin A|6-O-trans-p-Coumaroyl-3??-O-methyl-7-deoxyrehmaglutin A
7,8-Di-Me ether-3-(3,4-Dihydroxybenzyl)-5,6,7,8-tetrahydroxy-4-chromanone
(E)-8alpha,15-Diacetoxy-1-oxo-beta-cyclocostunolid|1-Ketone,8,15-di-Ac-1,8,15-Trihydroxy-4(15),11(13)-eudesmadien-12,6-olide
2-Chloro-6-hydroxy-3-methoxy-1,4,8-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-7-carbaldehyde
8-(Methylpropanoyl)-(4Z,6alpha,8beta,9alpha,10beta)-3,10-Epoxy-8,9-dihydroxy-1-oxo-2,4,11(13)-germacratrien-12,6-olide
2-Ketone,8,15-di-Ac-1,8,15-Trihydroxy-4,10(14),11(13)-germacratrien-12,6-olide
depside atranorin|Homodiploschistesinsaeure-methylester
(6S,7R,8S)-8,14-diacetoxyhelianga-1(10),4,11(13)-trien-15-al-6,12-olide
3a,4-dihydroxy-3-(4-hydroxy-5-oxo-2,5-dihydro-furan-2-yloxymethylene)-5-methoxy-3,3a,8,8a-tetrahydro-1-oxa-cyclopenta[a]inden-2-one|peagol
[3aS-[3aalpha,4beta,5beta,6alpha(S*),7alpha,7abeta]]-5-(1-Formylethenyl)octahydro-7-hydroxy-6-methyl-3-methylene-6-oxiranyl-2-oxo-4-benzofuranyl ester 2-methyl-2-propenoic acid
Secosterigmatocystin
D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins
(4R*,5S*,6S*,7R*,8S*,10R*)-8-(2,3-Epoxy-2-methylpropanoyloxy)-4-hydroxy-1-oxoeudesma-2,7(11)-dien-6,12-olide
3,4,7,8-Tetra-Me ether-(2R,3S,4S)-3,3,4,4,7,8-Hexahydroxyflavan
(3,4,5-triacetyloxy-6-methoxyoxan-2-yl)methyl acetate
Methyl 18-Bromo-(17Z)-octadeca-17-ene-5,7,15-triynoate
(+)-Halenaquinol dimethyl ether|(12bS)-(+)-8,11-dimethoxy-12b-methyl-1H-benzo[6,7]phenanthro(10,1-bc)furan-3,6(2H,12b H)-dione|halenaquinol dimethyl ether
2,2-dihydroxy-4,4,6,6-tetramethoxy-3,3-dimethylbenzophenone
(5R,6R,7R,8S,10S)-8,14-diacetoxyelema-1,3,11(13)-trien-15-al-6,12-olide
2-O-beta-D-glucosyltrideca-3E,11Z-dien-5,7,9-triyn-1,2-diol
2-caffeoyloxy-3-hydroxy-3-(3,4-dihydroxyphenyl)propyl alcohol
2-(3,4-Dimethoxyphenyl)-7,8-dimethoxy-3,4-chromanediol #
(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6,10-trimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|(2aS,3R,4aS,6R,11aR,11bR)-3-hydroxy-10-(hydroxymethyl)-3-isopropenyl-2a,6-dimethyl-2a,3,5,6,11a,11b-hexahydro-2H-6,9-epoxy-1,4-dioxacyclodeca[cd]pentalene-2,7(4aH)-dione|15-hydroxy-remantholide C|15-hydroxyeremantholide C
3,4,7-Tri-Me ether-3,3,4,5,5,7,8-Heptahydroxyflavone
3-(3-Hydroxy-4-methoxybenzyl)-3,5,6-trihydroxy-7-methoxychroman-4-one
1-(p-hydroxybenzoyl)-2-methoxy-4,7-dihydroxy-9,10-dihydrophenanthrene
inumakilactone
A diterpene lactone isolated from Podocarpus latifolius and has been shown to exhibit inhibitory activity against activator protein 1 (AP-1).
5-(hydroxymethyl)-6-{[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]-oxy}-4,5,6,8-tetrahydro-1H,3H-pyrano[3,4-c]-pyran-1-one|enicostemin B
1-bromo-4-(2-chloro-1-ethyl-2-methyl-pentyloxy)-3-epi-methoxy-4,6,6-trimethyl-cyclohexene|cycloelatanene B
3,4,8-Tri-Me ether-3,3,4,5,5,7,8-Heptahydroxyflavone
1alpha,8alpha-diacetoxy-2-oxo-eudesman-3,7(11)-dien-8,12-olide
4,5-dihydro-2-(4-hydroxy-3-methoxyphenyl)-3H-furo[2,3,4-kl]pyrrolo[4,3,2-fg][3]benzazocine-3,6(8H)-dionem|calanthumindole
5,5-Bis(3,3-Dimethoxy-1-propinyl)-2,2-bithienyl|5,5-bis-(3,3-dimethoxy-prop-1-ynyl)-[2,2]bithiophenyl
Pannarin
A member of the class of depsidones that is 11H-dibenzo[b,e][1,4]dioxepine substituted by methyl groups at positions 1,6 and 9, chloro group at position 2, hydroxy group at position 3, formyl group at position 4, methoxy group at position 8 and an oxo group at position 11. It is a lichen metabolite isolated from several Psoroma species.
2-Deoxy-D-araabino-hexonic acid,9CI,8CI-Me ester, tetra-Ac
2-beta-D-glucopyranosyloxy-1-hydroxytrideca-5,7,9,11-tetrayne|2beta-D-glucopyranosyloxy-1-hydroxytrideca-5,7,9,11-tetrayne|Cytopiloyne
4-Hydroxy-5-(3-methylbutyryl)-9-phenyl-1,6-dioxa-7H-benzo[e]indene-7-one
Methyl 18-Bromo-(9Z,15Z,17E)-octadeca-9,15,17-triene-5,7-diynoate
(7R)-7-hydroxytaxiresinol
A lignan that consists of tetrahydrofuran substituted by a 3,4-dihydroxyphenyl group at position 2, a hydroxymethyl group at position 3 and a hydroxy(4-hydroxy-3-methoxyphenyl)methyl group at position 4. It has been isolated from Taxus yunnanensis. D004791 - Enzyme Inhibitors > D065607 - Cytochrome P-450 Enzyme Inhibitors > D065692 - Cytochrome P-450 CYP3A Inhibitors
(1S*,4R*,7S*,8S*,10R*)-1-hydroxy-1,4,7,10-diepoxy-8-methacryloxygermacra-5Z,11(13)-dien-6,12-olide
4beta-hydroxy-4,5-dihydro-5,6-dehydrovernonallenolide
O1-(4-phenoxy-phenyl)-beta-D-glucopyranuronic acid|O1-(4-Phenoxy-phenyl)-beta-D-glucopyranuronsaeure
(6S,7R,8S)-8,15-diacetoxy-14-oxomelampa-1(10),4,11(13)-trien-12,6-olide|(6S,7R,8S)-8,15-diacetoxymelampa-1(10),4,11(13)-trien-14-al-6,12-olide|(E,E)-8alpha,15-Diacetoxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olid
8alpha,13-diacetoxy-7,11-dehydro-11,13-dihydroanhydroverlotorin
3,5,8-Tri-Me ether-2,3,4,5,5,7,8-Heptahydroxyflavone
5-hydroxy-6,8-dimethoxy-2-benzyl-4h-naphtho[2,3-b]-pyran-4-one
DAF-2
D004396 - Coloring Agents > D005456 - Fluorescent Dyes > D005452 - Fluoresceins D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents
2,3,3a,4,5,6,7,8,9,11a-Decahydro-9-hydroxy-6,10-dimethyl-3-methylene-2,7-dioxo-6,9-epoxycyclodeca[b]furan-4-yl ester 2-methyl-2-propenoic acid
ACon1_001022
7-amino-8-(2,4-dihydroxy-6-methylphenyl)-1,9-dimethyl-3H-phenoxazin-3-one
relative retention time with respect to 9-anthracene Carboxylic Acid is 1.101 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.098 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.096 relative retention time with respect to 9-anthracene Carboxylic Acid is 1.092
3,8-dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one
methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
C19H22O7_(3aS,4S,5S,6E,10Z,11aR)-6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-4-yl methacrylate
Piretanide
D045283 - Natriuretic Agents > D004232 - Diuretics > D049994 - Sodium Potassium Chloride Symporter Inhibitors C - Cardiovascular system > C03 - Diuretics > C03C - High-ceiling diuretics > C03CA - Sulfonamides, plain C78275 - Agent Affecting Blood or Body Fluid > C448 - Diuretic > C49184 - Loop Diuretic D002317 - Cardiovascular Agents > D045283 - Natriuretic Agents D049990 - Membrane Transport Modulators
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based: Match]
methyl 2-hydroxy-6-(2-hydroxy-4-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate [IIN-based on: CCMSLIB00000848992]
FR140423
C18H16F2N2O2S (362.09004999999996)
CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8446; ORIGINAL_PRECURSOR_SCAN_NO 8442 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8470; ORIGINAL_PRECURSOR_SCAN_NO 8469 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8485; ORIGINAL_PRECURSOR_SCAN_NO 8483 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8519; ORIGINAL_PRECURSOR_SCAN_NO 8516 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8520; ORIGINAL_PRECURSOR_SCAN_NO 8517 CONFIDENCE standard compound; INTERNAL_ID 660; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 8527; ORIGINAL_PRECURSOR_SCAN_NO 8525
8-2-Amino-3,8-dimmethylimidazo[4,5-f]quinoxaline-guanine
C16H14N10O1 (362.13519940000003)
[(3aS,4S,5S,6E,10Z,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate_major
Cys Gly Pro Ser
Cys Gly Ser Pro
Cys Pro Gly Ser
Cys Pro Ser Gly
Cys Ser Gly Pro
Cys Ser Pro Gly
Asp Asp Gly Gly
Asp Gly Asp Gly
Asp Gly Gly Asp
Gly Cys Pro Ser
Gly Cys Ser Pro
Gly Asp Asp Gly
Gly Asp Gly Asp
Gly Gly Asp Asp
Gly Pro Cys Ser
Gly Pro Ser Cys
Gly Ser Cys Pro
Gly Ser Pro Cys
Pro Cys Gly Ser
Pro Cys Ser Gly
Pro Gly Cys Ser
Pro Gly Ser Cys
Pro Ser Cys Gly
Pro Ser Gly Cys
Ser Cys Gly Pro
Ser Cys Pro Gly
Ser Gly Cys Pro
Ser Gly Pro Cys
Ser Pro Cys Gly
Ser Pro Gly Cys
Val-His-OH
C16H18N4O6 (362.12262880000003)
His-Abu-OH
C16H18N4O6 (362.12262880000003)
Gibberellin A93
2',8-Dihydroxy-3',4',5',7-tetramethoxyflavan
Gibberellin A21
Diosbulbin C
Gibberellin A87
Zanthobisquinolone
5-(4,4,6-trimethyl-2-thioxo-3,4-dihydropyrimidin-1(2H)-yl)naphthalene-2-sulfonic acid
Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate
Methyl 18-bromo-9E,15E,17E-octadecatrien-5,7-diynoate
5-CHLORO-2-[[[(3,4-DIMETHYLBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID
C17H15ClN2O3S (362.0491870000001)
ethyl 3-(N-(5-chloro-2-nitrophenyl)anilino)-3-oxopropanoate
C17H15ClN2O5 (362.06694500000003)
3,3,4,4,5,5,6,6,6-nonafluorohexyl-di(propan-2-yl)silane
7-chloro-1-(2,3-dihydroxypropyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
C18H16ClFN2O3 (362.08334279999997)
3,4,6-Tri-O-acetyl-a-D-glucopyranose 1,2-(methyl orthoacetate)
tert-butyl N-[2-amino-2-(2-iodophenyl)ethyl]carbamate
n-(2-hydroxyethyl)ethylenediaminetriacetic acid, trisodium salt hydrate, 85
C10H17N2Na3O8 (362.06779620000003)
5-CHLORO-1,3-DIHYDRO-1,3,3-TRIMETHYLSPIRO[2 H-INDOLE-2,3-[3 H]NAPHTH[2,1-B][1,4]OXAZINE]
C22H19ClN2O (362.11858340000003)
Acridine, 3-amino-9-(p-aminophenyl)-2-methyl-, nitrate (8CI)
C20H18N4O3 (362.13788379999994)
9-FLUORENYLMETHYL N-(2-AMINOETHYL)CARBAMATE HYDROBROMIDE
C17H19BrN2O2 (362.06298139999996)
2,2-DIMETHYL-5-[(4-MORPHOLINO-3-NITROPHENYL)METHYLENE]-1,3-DIOXANE-4,6-DIONE
C17H18N2O7 (362.11139579999997)
ethyl 1,6-dimethyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-1-ium-3-carboxylate,methyl sulfate
Pyrano[2,3-c]pyrazole-5-carbonitrile,6-amino-4-(4-chlorophenyl)-1,4-dihydro-3-methyl-1-phenyl-
3,4,6-Tri-O-acetyl-α-D-galactopyranose 1,2-(methyl orthoacetate)
N4-(3-Chloro-4-fluorophenyl)-7-(2-methoxyethoxy)quinazoline-4,6-diamine
sodium,3,7-dimethylpurine-2,6-dione,2-hydroxybenzoate
TERT-BUTYL 3-(BENZYLOXY)-4-BROMOBENZOATE
C18H19BrO3 (362.05174839999995)
4-Benzyl-3-(butylamino)-5-sulfamoylbenzoic acid
C18H22N2O4S (362.13002120000004)
METHYL 6-(4-(((BENZYLOXY)CARBONYL)AMINO)PHENYL)PICOLINATE
3-cyclopentyl-2-(3,4-dichlorophenyl)-N-pyridin-2-ylpropanamide
4-[3-(3,4-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
C22H10N4O2 (362.08037199999995)
4-BENZYLOXY-5-BROMO-2-(4-METHYLPIPERAZIN-1-YL)-PYRIMIDINE
C16H19BrN4O (362.07421439999996)
Piperazine-1,4-bis(2-hydroxypropanesulfonic acid) dihydrate
N-(5-AMINOPENTYL)-5-CHLORO-1-NAPHTHALENE-SULFONAMIDE HYDROCHLORIDE
N-(5-(5-FLUORO-6-METHYLPYRIDIN-2-YL)-4-(QUINOXALIN-6-YL)-1H-IMIDAZOL-2-YL)ACETAMIDE
C19H15FN6O (362.12913119999996)
tert-butyl N-[2-amino-2-(4-iodophenyl)ethyl]carbamate
diethyl 3-amino-6-(trifluoromethyl)thieno[2,3-b]pyridine-2,5-dicarboxylate
C14H13F3N2O4S (362.05480940000007)
mexazolam
C18H16Cl2N2O2 (362.05887759999996)
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(R)-3-((6,7,8,9-TETRAHYDRO-5H-BENZO[7]ANNULEN-5-YL)THIO)-5-UREIDOISOTHIAZOLE-4-CARBOXAMIDE
1,5-Benzothiazepin-4(5H)-one,5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-phenyl-, hydrochloride (1:1)
C19H23ClN2OS (362.12195380000003)
1,5-diamino-4,8-dihydroxy(4-hydroxyphenyl)anthraquinone
2,3-DI(P-TOLYL)-5-PHENYLTETRAZOLIUM CHLORIDE
C21H19ClN4 (362.12981640000004)
4-[(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)diazenyl]-N,N-dimethylaniline,chloride
2,3-BIS(3-METHYLPHENYL)-5-PHENYLTETRAZOLIUM CHLORIDE
C21H19ClN4 (362.12981640000004)
2-phenoxyethoxycarbonyloxy 2-phenoxyethyl carbonate
[5-(3-Oxopropylamino)thieno[3,2-b]pyridin-7-yl] benzoate hydrochloride
C17H15ClN2O3S (362.0491870000001)
Landipirdine
C18H19FN2O3S (362.11003560000006)
C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist
Trimethyl[1-(2,6-xylylcarbamoyl)ethyl]ammonium iodide
C14H23IN2O (362.08550579999996)
4-[[4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methoxy]benzaldehyde
C19H13F3O2S (362.05883140000003)
3-(Perfluorobutyl)-2-hydroxypropyl methacrylate
C11H11F9O3 (362.0564443999999)
Methyl 7-methoxy-2,2-diphenyl-1,3-benzodioxole-5-carboxylate
1-{[3,5-Bis(trifluoromethyl)phenyl]sulfonyl}piperazine
Methanone,1,1-[1,1-biphenyl]-2,2-diylbis[1-phenyl-
4-phenylmethoxy-3-phenylmethoxycarbonylbenzoic acid
N,N-Diethyl-2-[(2-Thienylcarbonyl)amino]-4,5,6,7-Tetrahydro-1-Benzothiophene-3-Carboxamide
N-[(1s)-2-Amino-1-Phenylethyl]-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)thiophene-2-Carboxamide
5Z-7-Oxozeaenol
A macrolide that is the 7-oxo derivative of zeaenol (the 5Z stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.
Ethyl 7-(3-hydroxyphenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C20H18N4O3 (362.13788379999994)
N-carbamoyl-2-(triphenylphosphoranylidene)acetamide
5-[3,4-dihydro-1H-isoquinolin-2-yl(phenyl)methyl]-6-thiazolo[3,2-b][1,2,4]triazolol
2-Ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione
4-(dimethylsulfamoyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
C15H14N4O5S (362.06848740000004)
(R)-5-(3-Fluorophenyl)-N-(piperidin-3-yl)-3-ureidothiophene-2-carboxamide
N-[3-cyano-4-[(4-methylphenyl)thio]phenyl]-4-fluorobenzamide
1,5-Dihydroxy-4,8-bis(hydroxy(hydroxymethyl)amino)anthraquinone
(Z)-5-[(5-hydroxy-7-methoxy-2-methyl-4-oxochromen-6-yl)methoxy]-3-methyl-5-oxopent-3-enoic acid
4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
(3aS,4R,9bR)-2,2-difluoro-4-(4-hydroxyphenyl)-6-(methoxymethyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
C20H20F2O4 (362.13295840000006)
3-{5-[Amino(iminio)methyl]-6-chloro-1H-benzimidazol-2-YL}-1,1-biphenyl-2-olate
(3R,5Z,8S,9S,11E)-8,9,16-Trihydroxy-14-methoxy-3-methyl-3,4,9,10-tetrahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
6-Chloro-2-(2-hydroxy-biphenyl-3-YL)-1H-indole-5-carboxamidine
[2-(1-Amino-2-Hydroxy-Propyl)-4-(4-Fluoro-1h-Indol-3-Ylmethyl)-5-Hydroxy-Imidazol-1-Yl]-Acetic Acid
Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate
[6-Formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
5-Hydroxy-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9,11-dicarboxylic acid
5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6-dimethoxy-2,3-dihydrochromen-4-one
4,5,12-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadec-13-ene-9-carboxylic acid
5,15-Dihydroxy-11-methyl-6-methylidene-17-oxo-13,16-dioxahexacyclo[9.4.2.15,8.01,10.02,8.012,14]octadecane-9-carboxylic acid
4-Acetyl-6-(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)-3,5-dihydroxy-6-methylcyclohexa-2,4-dien-1-one
7,8-Didemethyl-8-hydroxy-5-deazariboflavin(1-)
C16H16N3O7- (362.09882059999995)
N-[(5S)-5-amino-5-carboxypentanoyl]-L-cysteinyl-D-valine
C14H24N3O6S- (362.13857440000004)
(6E,12E)-9,10,18-trihydroxy-16-methoxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaene-2,8-dione
5-Chloro-7-[3-pyridinyl-(2-pyridinylamino)methyl]-8-quinolinol
6-(1,3-benzodioxol-5-yl)-N-(2-thiazolylmethyl)-4-quinazolinamine
4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate
4-chloro-N-[4-[3-(methylthio)anilino]-4-oxobutyl]benzamide
2-Furanyl-[4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinyl]methanone
C18H22N2O4S (362.13002120000004)
azanigerone A
An azaphilone that is the ester obtained by formal condensation of the carboxy group of 2,4-dimethylhexanoic acid with the tertiary hydroxy group of 7-hydroxy-7-methyl-6,8-dioxo-7,8-dihydro-6H-2-benzopyran-3-carboxylic acid.
1-(3-Amino-7-methoxy-1-pyrazolo[3,4-b]quinolinyl)-2-(2-methoxyphenyl)ethanone
C20H18N4O3 (362.13788379999994)
N-[3-cyano-4,5-bis(4-methoxyphenyl)furan-2-yl]acetamide
3-[(6-Bromo-3-butyl-2-methyl-4-quinolinyl)thio]propanenitrile
1-(2-Methoxy-3-dibenzofuranyl)-3-(3-methylphenyl)thiourea
2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)thio]-N-phenylacetamide
6-Methyl-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarbonitrile
3-(2-chloro-6-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-5-methyl-4-isoxazolecarboxamide
Benzoic acid [3,4-dihydroxy-5-(5-methyl-2,4-dioxo-1-pyrimidinyl)-2-oxolanyl]methyl ester
C17H18N2O7 (362.11139579999997)
3-[(1,3-benzothiazol-2-ylthio)methyl]-4-cyclohexyl-1H-1,2,4-triazole-5-thione
C16H18N4S3 (362.06935480000004)
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-phenoxyacetamide
5-[(2-Chlorophenyl)methylsulfonyl]-1-(2,6-dimethylphenyl)tetrazole
8-Chloro-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
C16H15ClN4O4 (362.07817800000004)
8-(4-Methoxyphenyl)-7-methyl-3-(phenylmethyl)purine-2,6-dione
C20H18N4O3 (362.13788379999994)
4,8-dimethyl-3-(phenylmethyl)-7-(2H-tetrazol-5-ylmethoxy)-1-benzopyran-2-one
C20H18N4O3 (362.13788379999994)
N-(3-cyanophenyl)-2-(4-ethyl-2,5-dioxo-4-phenyl-1-imidazolidinyl)acetamide
C20H18N4O3 (362.13788379999994)
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-4-nitro-3-pyrazolecarboxamide
N-[(2-methoxyphenyl)-oxomethyl]-2-(4-morpholinyl)-4-thiazolecarbohydrazide
C16H18N4O4S (362.10487080000007)
1-[(E)-[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]tetrazol-5-amine
2-(4-Methylcyclohexylidene)-2-[4-(2-oxo-1-benzopyran-3-yl)-2-thiazolyl]acetonitrile
3-(2-chlorophenyl)-5-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-4-isoxazolecarboxamide
N,8-Dimethyl-N-(3-methylphenyl)-4-oxo-5H-thieno[3,2-C]quinoline-2-carboxamide
N-(2-methoxy-5-methylphenyl)-1-methyl-4-oxo-1,4-dihydropyrido[1,2-a]pyrrolo[2,3-d]pyrimidine-2-carboxamide
C20H18N4O3 (362.13788379999994)
N-[[3-(hydroxymethyl)anilino]-sulfanylidenemethyl]-4-phenylbenzamide
Diphenyl (2R,3S)-3-hydroxy-2-methyl-1-oxopentyl methanephosphonate
1-Azepanyl-[5-[(4-chloro-3,5-dimethylphenoxy)methyl]-3-isoxazolyl]methanone
2-[[(3-Methoxyanilino)-oxomethyl]-[(3-methyl-2-thiophenyl)methyl]amino]acetic acid ethyl ester
C18H22N2O4S (362.13002120000004)
4-[5-(3-chlorophenyl)-2-furanyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester
C17H15ClN2O3S (362.0491870000001)
N-[5-(2-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide
C14H14N6O2S2 (362.06196239999997)
(E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)prop-2-enamide
C20H18N4O3 (362.13788379999994)
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
Cefadroxil(1-)
A cephalosporin carboxylic acid anion having a 7beta-[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino side-chain, formed by proton loss from the carboxy group of the cephalosporin cefadroxil.
(1S,2S,4aR,4bR,7S,9S,9aR,10S,10aR)-2,7,9-trihydroxy-1-methyl-8-methylidene-13-oxo-1,2,4b,5,6,7,8,9,10,10a-decahydro-4a,1-(epoxymethano)-7,9a-methanobenzo[a]azulene-10-carboxylic acid
1-(2-phenylethyl)-5-[(E)-3-phenylprop-2-enoyl]-1,3-diazinane-2,4,6-trione
6-(3-Aminopropoxy)-4-(3-chloro-4-fluoroanilino)quinazolin-7-ol
2-[4,6-dihydroxy-2-methoxy-3-[(E)-3-methyl-4-sulfooxybut-2-enyl]phenyl]acetic acid
C14H18O9S (362.06714980000004)
2-[4,6-Dihydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2-sulooxyacetic acid
C14H18O9S (362.06714980000004)
6-(3-Carboxy-2,4,6-trihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
(5-Oxo-1,7-diphenylheptan-2-yl) hydrogen sulate
C19H22O5S (362.11878820000004)
4-[2,4-Dihydroxy-3-(hydroxymethyl)-6-methylbenzoyl]oxy-2-hydroxy-3,6-dimethylbenzoic acid
[(3aS,4S,5S,6E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
[(6E,10Z)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
[(3aS,4S,5S,6E,10E,11aR)-6-formyl-5-hydroxy-10-(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoate
Fosphenytoin
N - Nervous system > N03 - Antiepileptics > N03A - Antiepileptics > N03AB - Hydantoin derivatives C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent D002491 - Central Nervous System Agents > D000927 - Anticonvulsants D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers D049990 - Membrane Transport Modulators
NS-1619
C15H8F6N2O2 (362.04899399999994)
5E-7-oxozeaenol
A macrolide that is the 7-oxo derivative of zeaenol (the 5E stereoisomer). Isolated from Fungi, it exhibits cytotoxic, antibacterial and inhibitory activity against NF-kappaB.
sydoxanthone C
C17H14O7S (362.04602140000003)
A member of the class of xanthones that is 9H-xanthen-9-one substituted by methoxycarbonyl, methylsulfinyl, hydroxymethyl and hydroxy groups at positions 1, 2, 6 and 8, respectively. It is a natural product isolated from the deep-sea-derived fungus Aspergillus sp. SCSIO Ind09F01.
BPDBA
BPDBA is a selective and noncompetitive betaine/GABA transporter (BGT-1) inhibitor with IC50s of 20 μM and 35 μM against human BGT-1 and mouse GAT2, respectively[1].
BZAD-01
C16H12F6N2O (362.08537739999997)
BZAD-01 is a potent, selective and orally active inhibitor of NMDA NR2B subunit, with a Ki of 72 nM. BZAD-01 can improve postural asymmetry as well as Apomorphine-induced rotation[1].
DPBQ
DPBQ activates p53 and triggers apoptosis in a polyploid-specific manner, but does not inhibit topoisomerase or bind DNA. DPBQ elicits expression and phosphorylation of p53 and this effect is specific to tetraploid cells[1].
L-745870 (hydrochloride)
L-745870 hydrochloride is a potent, selective, brain-penetrant and orally active dopamine D4 receptor antagonist with a Ki of 0.43 nM. L-745870 hydrochloride shows weaker affinity for D2 (Ki of 960 nM) and D3 (Ki of 2300 nM) receptors, and exhibits moderate affinity for 5-HT2 receptors, sigma sites and α-adrenoceptors[1][2][3].
ZINC00784494
C20H14N2O3S (362.07250940000006)
ZINC00784494 is a specific Lipocalin-2 (LCN2) inhibitor. ZINC00784494 inhibits cell proliferation, cell viability and reduces AKT phosphorylation levels in SUM149 cells. ZINC00784494 has good potential for research in inflammatory breast cancer (IBC)[1].