Exact Mass: 542.194058
Exact Mass Matches: 542.194058
Found 435 metabolites which its exact mass value is equals to given mass value 542.194058
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Flocoumafen
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
3,3'-Bisanigorufone
3,3-Bisanigorufone is found in fruits. 3,3-Bisanigorufone is a constituent of the rhizomes of Musa acuminata (dwarf banana). Constituent of the rhizomes of Musa acuminata (dwarf banana). 3,3-Bisanigorufone is found in fruits.
Cinncassiol C1 19-glucoside
Cinncassiol C1 19-glucoside is found in herbs and spices. Cinncassiol C1 19-glucoside is a constituent of Cinnamomum cassia (Chinese cinnamon) Constituent of Cinnamomum cassia (Chinese cinnamon). Cinncassiol C1 19-glucoside is found in herbs and spices.
Italidipyrone
Italidipyrone is found in herbs and spices. Italidipyrone is a constituent of Helichrysum italicum (curry plant). Constituent of Helichrysum italicum (curry plant). Italidipyrone is found in tea and herbs and spices.
((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-2H-1,2,3-triazol-2-yl)methanone
4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[[(E)-4-(dimethylamino)but-2-enyl]amino]-7-ethoxyquinoline-3-carbonitrile
Cochinchinenin B
Comuside
Chembl4569322
comuside
Cornuside is a natural product found in Cornus officinalis and Phellodendron amurense with data available. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1]. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1].
Satratoxin F
D009676 - Noxae > D011042 - Poisons > D014255 - Trichothecenes D009676 - Noxae > D011042 - Poisons > D009183 - Mycotoxins CONFIDENCE isolated standard
7beta,8beta-2,3-Diepoxyroridin H
15-Benzoyl-10-deacetyl-2-debenzoyl-10-dehydro-abeo-baccatin III
(3S,4S)-3,4-trans-2,7-Dihydroxy-4-methoxy-4-[(3S)-2,7-dihydroxy-4-methoxyisoflavan-5-yl]isoflavan
Cornuside
Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1]. Cornuside is a secoiridoid glucoside isolated from the fruit of Cornus officinalis Sieb. et Zucc., which is a traditional oriental medicine for treating inflammatory diseases and invigorating blood circulation. Cornuside inhibits mast cell-mediated allergic response by down-regulating MAPK and NF-κB signaling pathways. Cornuside has anti-allergic effects in vivo and in vitro which suggests a therapeutic application of this agent in inflammatory allergic diseases[1].
Bruceantarin
Bruceantarin is a natural product found in Brucea javanica with data available.
(3R,4S,3S)-4-(6,7-Dihydroxy-4-methoxyisoflavan-3-yl)-2,7-dihydroxy-4-methoxyisoflavan
(2S,3S)-pterosin C 3-O-beta-(4-p-coumaroyl)-glucopyranoside|multifidoside A
4-(4-O-beta-D-glucopyranosylphenoxy)-1-O-beta-glucopyranosyl-1,3-benzenediol
10-O-[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]geniposidic acid|rel-(1R,4aR,7aR)-1-(beta-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-7-{{[(2E,6R)-8-hydroxy-2,6-dimethyl-1-oxooct-2-en-1-yl]oxy}methyl}cyclopenta[c]pyran-4-carboxylic acid|scyphiphorin B
erythro-4,7,9,5,9-pentahydroxy-3-methoxy-8-O-4-neolignan-3-O-beta-D-glucopyranoside
(1R,2S,4S,5S,6R,7R,9S,10S)-1,2,6,9,15-pentaacetoxy-4-hydroxy-8-oxodihydro-beta-agarofuran
N, N, N-Di-p-coumaroyl, p-hydroxybenxoylagmatine
C30H30N4O6 (542.2165239999999)
A9CME97XV3
Cochinchinenin C is a natural product found in Dracaena cochinchinensis with data available.
6-methoxy-2-oxo-2H-chromen-7-yl 2-O-acetyl-6-O-(6-deoxyhexopyranosyl)hexopyranoside
relative retention time with respect to 9-anthracene Carboxylic Acid is 0.739 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.740 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.735
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate
C26H38O12_7-Hydroxy-1-({2-O-[(2E,6E)-8-hydroxy-2,6-dimethyl-2,6-octadienoyl]-beta-D-glucopyranosyl}oxy)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
C24H30O14_2H-Pyran-4-acetic acid, 5-carboxy-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-3-(2-hydroxyethylidene)-, alpha-[2-(3,4-dihydroxyphenyl)ethyl] ester, (2S,3Z,4S)
methyl (2S,3R,4S)-3-ethenyl-4-[2-(3,4,5-trihydroxybenzoyl)oxyethyl]-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate [IIN-based: Match]
N6-Aristololactam-I-deoxyadenosine
C27H22N6O7 (542.1549901999999)
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,6,12-trioxatricyclo[12.2.1.0⁴,⁹]heptadec-4-ene-3,11-dione_major
Cys Glu Glu Tyr
Cys Glu Tyr Glu
Cys Phe His His
Cys His Phe His
Cys His His Phe
Cys His Gln Arg
Cys His Arg Gln
Cys Gln His Arg
Cys Gln Arg His
Cys Arg His Gln
Cys Arg Gln His
Cys Tyr Glu Glu
Asp Asp Phe Phe
Asp Asp Met Tyr
Asp Asp Tyr Met
Asp Phe Asp Phe
Asp Phe Phe Asp
Asp Phe Met Met
C23H34N4O7S2 (542.1868814000001)
Asp Phe Val Tyr
Asp Phe Tyr Val
Asp Met Asp Tyr
Asp Met Phe Met
C23H34N4O7S2 (542.1868814000001)
Asp Met Met Phe
C23H34N4O7S2 (542.1868814000001)
Asp Met Tyr Asp
Asp Val Phe Tyr
Asp Val Tyr Phe
Asp Tyr Asp Met
Asp Tyr Phe Val
Asp Tyr Met Asp
Asp Tyr Val Phe
Glu Cys Glu Tyr
Glu Cys Tyr Glu
Glu Glu Cys Tyr
Glu Glu Glu His
Glu Glu His Glu
Glu Glu Tyr Cys
Glu Phe Phe Thr
Glu Phe Thr Phe
Glu His Glu Glu
Glu Met Thr Tyr
Glu Met Tyr Thr
Glu Thr Phe Phe
Glu Thr Met Tyr
Glu Thr Tyr Met
Glu Tyr Cys Glu
Glu Tyr Glu Cys
Glu Tyr Met Thr
Glu Tyr Thr Met
Phe Cys His His
Phe Asp Asp Phe
Phe Asp Phe Asp
Phe Asp Met Met
C23H34N4O7S2 (542.1868814000001)
Phe Asp Val Tyr
Phe Asp Tyr Val
Phe Glu Phe Thr
Phe Glu Thr Phe
Phe Phe Asp Asp
Phe Phe Glu Thr
Phe Phe Thr Glu
Phe His Cys His
Phe His His Cys
Phe Met Asp Met
C23H34N4O7S2 (542.1868814000001)
Phe Met Met Asp
C23H34N4O7S2 (542.1868814000001)
Phe Thr Glu Phe
Phe Thr Phe Glu
Phe Val Asp Tyr
Phe Val Tyr Asp
Phe Tyr Asp Val
Phe Tyr Val Asp
His Cys Phe His
His Cys His Phe
His Cys Gln Arg
His Cys Arg Gln
His Glu Glu Glu
His Phe Cys His
His Phe His Cys
His His Cys Phe
His His Phe Cys
His His Ser Tyr
His His Tyr Ser
His Met Gln Gln
His Asn Ser Trp
His Asn Trp Ser
His Gln Cys Arg
His Gln Met Gln
His Gln Gln Met
His Gln Arg Cys
His Arg Cys Gln
His Arg Gln Cys
His Ser His Tyr
His Ser Asn Trp
His Ser Trp Asn
His Ser Tyr His
His Trp Asn Ser
His Trp Ser Asn
His Tyr His Ser
His Tyr Ser His
Met Asp Asp Tyr
Met Asp Phe Met
C23H34N4O7S2 (542.1868814000001)
Met Asp Met Phe
C23H34N4O7S2 (542.1868814000001)
Met Asp Tyr Asp
Met Glu Thr Tyr
Met Glu Tyr Thr
Met Phe Asp Met
C23H34N4O7S2 (542.1868814000001)
Met Phe Met Asp
C23H34N4O7S2 (542.1868814000001)
Met His Gln Gln
Met Met Asp Phe
C23H34N4O7S2 (542.1868814000001)
Met Met Phe Asp
C23H34N4O7S2 (542.1868814000001)
Met Met Met Met
Met Met Val Tyr
Met Met Tyr Val
Met Gln His Gln
Met Gln Gln His
Met Thr Glu Tyr
Met Thr Tyr Glu
Met Val Met Tyr
Met Val Tyr Met
Met Tyr Asp Asp
Met Tyr Glu Thr
Met Tyr Met Val
Met Tyr Thr Glu
Met Tyr Val Met
Asn His Ser Trp
Asn His Trp Ser
Asn Ser His Trp
Asn Ser Trp His
Asn Trp His Ser
Asn Trp Ser His
Pro Thr Tyr Tyr
Pro Tyr Thr Tyr
Pro Tyr Tyr Thr
Gln Cys His Arg
Gln Cys Arg His
Gln His Cys Arg
Gln His Met Gln
Gln His Gln Met
Gln His Arg Cys
Gln Met His Gln
Gln Met Gln His
Gln Gln His Met
Gln Gln Met His
Gln Arg Cys His
Gln Arg His Cys
Arg Cys His Gln
Arg Cys Gln His
Arg His Cys Gln
Arg His Gln Cys
Arg Gln Cys His
Arg Gln His Cys
Ser His His Tyr
Ser His Asn Trp
Ser His Trp Asn
Ser His Tyr His
Ser Asn His Trp
Ser Asn Trp His
Ser Trp His Asn
Ser Trp Asn His
Ser Tyr His His
Thr Glu Phe Phe
Thr Glu Met Tyr
Thr Glu Tyr Met
Thr Phe Glu Phe
Thr Phe Phe Glu
Thr Met Glu Tyr
Thr Met Tyr Glu
Thr Pro Tyr Tyr
Thr Tyr Glu Met
Thr Tyr Met Glu
Thr Tyr Pro Tyr
Thr Tyr Tyr Pro
Val Asp Phe Tyr
Val Asp Tyr Phe
Val Phe Asp Tyr
Val Phe Tyr Asp
Val Met Met Tyr
Val Met Tyr Met
Val Tyr Asp Phe
Val Tyr Phe Asp
Val Tyr Met Met
Trp His Asn Ser
Trp His Ser Asn
Trp Asn His Ser
Trp Asn Ser His
Trp Ser His Asn
Trp Ser Asn His
Tyr Cys Glu Glu
Tyr Asp Asp Met
Tyr Asp Phe Val
Tyr Asp Met Asp
Tyr Asp Val Phe
Tyr Glu Cys Glu
Tyr Glu Glu Cys
Tyr Glu Met Thr
Tyr Glu Thr Met
Tyr Phe Asp Val
Tyr Phe Val Asp
Tyr His His Ser
Tyr His Ser His
Tyr Met Asp Asp
Tyr Met Glu Thr
Tyr Met Met Val
Tyr Met Thr Glu
Tyr Met Val Met
Tyr Pro Thr Tyr
Tyr Pro Tyr Thr
Tyr Ser His His
Tyr Thr Glu Met
Tyr Thr Met Glu
Tyr Thr Pro Tyr
Tyr Thr Tyr Pro
Tyr Val Asp Phe
Tyr Val Phe Asp
Tyr Val Met Met
Tyr Tyr Pro Thr
Tyr Tyr Thr Pro
Cinncassiol C1 19-glucoside
Italidipyrone
ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate (dihydrochloride)
N-Benzyloxycarbonyl-L-lysine benzyl ester p-toluenesulfonate
(r)-1-[(s)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine
(s)-1-[(r)-2-(di-tert.-butylphosphino)ferrocenyl]ethyldiphenylphosphine
2,6-bis(diphenylamino)anthracene-9,10-dione
C38H26N2O2 (542.1994176000001)
disodium 4-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethyl] 2-sulphonatosuccinate
(s)-1-[(r)-2-(diphenylphosphino)ferrocenyl]-ethyldi-tert.-butylphosphine
(R)-(-)-[(S)-2-(Diphenylphosphino(ferrocenyl]ethyldi-tert-butylphosphine
(R,R)-N-Benzyl-3,4-trans-(N-Boc)-diaminopyrrolidine
N-[2-morpholin-4-yl-5-[3-(morpholin-4-ylmethyl)phenyl]phenyl]-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carboxamide
8-Ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
N-[3-(Dimethylamino)propyl]-2-({[4-({[4-(formylamino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-1-methyl-1H-pyrrol-2-YL]carbonyl}amino)-5-isopropyl-1,3-thiazole-4-carboxamide
((2R,5R)-2-Benzyl-5-(prop-2-yn-1-yloxy)piperidin-1-yl)(4-(bis(4-fluorophenyl)(hydroxy)methyl)-2H-1,2,3-triazol-2-yl)methanone
N-(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
4-[3-Chloro-4-(pyridin-2-ylmethoxy)anilino]-6-[[(E)-4-(dimethylamino)but-2-enyl]amino]-7-ethoxyquinoline-3-carbonitrile
8-[1-(1,3-Benzodioxol-5-yl)-3-(4-phenyl-1-piperazinyl)propyl]-5,7-dimethoxy-4-methyl-1-benzopyran-2-one
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(dimethylamino)propyl]-N-(6-ethyl-1,3-benzothiazol-2-yl)benzamide
C28H38N4O3S2 (542.2385198000001)
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-fluorophenoxy)methyl]-N-[(E)-[4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]triazole-4-carboxamide
C27H23FN8O4 (542.1826209999999)
dehydroepiandrosterone 3-O-(3-sulfo-beta-D-glucuronide)(2-)
N-[(1S,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1S,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aS,9aR)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3R,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
N-[(1R,3S,4aR,9aS)-3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-6-yl]-1,3-benzodioxole-5-carboxamide
1-O-[(6Z,9R,10E,12E,14Z,16S)-19-carboxy-9,16-dihydroxynonadeca-6,10,12,14-tetraenoyl]-beta-D-glucopyranuronic acid
(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione
[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] acetate
[(2S,3R,4S,5R,6R)-3,5-dihydroxy-2-(6-methoxy-2-oxochromen-7-yl)oxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-4-yl] acetate
[1-Acetyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] pentanoate
[1-Propanoyloxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropan-2-yl] butanoate
Benzene-1,2,4,5-tetracarboxylic acid tetra(trimethylsilyl) ester
C22H38O8Si4 (542.1643667999999)
Flocoumafen
D006401 - Hematologic Agents > D000925 - Anticoagulants > D015110 - 4-Hydroxycoumarins
MARK4 inhibitor 2
MARK4 inhibitor 2 is an inhibitor of microtubule affinity-regulating kinase 4 (MARK4) with an Km of 6.3×10 7 and an IC50 of 0.82 μM. MARK4 inhibitor 2 inhibits the growth of human cells and can be used for cancer research[1].
RAF709
RAF709 is a potent, selective, and efficacious RAF inhibitor with IC50s of 0.4 nM and 0.5 nM for BRAF and CRAF, respectively[1]. Antitumor efficacy[1].