Exact Mass: 554.1536526
Exact Mass Matches: 554.1536526
Found 138 metabolites which its exact mass value is equals to given mass value 554.1536526,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
3-O-(6-O-alpha-D-Xylosylphospho-alpha-D-mannopyranosyl)-alpha-D-mannopyranose
Marmesin rutinoside
Marmesin rutinoside is found in herbs and spices. Marmesin rutinoside is a constituent of the roots of Murraya koenigii (curry leaf tree). Constituent of the roots of Murraya koenigii (curry leaf tree). Marmesin rutinoside is found in herbs and spices.
Lippioside II
Lippioside II is found in herbs and spices. Lippioside II is a constituent of Lippia graveolens (Mexican oregano)
C.I. Acid Green 50
C27H26N2O7S2 (554.1181366000001)
C.I. Acid Green 50 is a food colourant. Prohibited in Japan, Canada, USA, Norway, Sweden and Finland. Food colourant . Prohibited in Japan, Canada, USA, Norway, Sweden and Finland
7-O-Methylaloeresin A
7-O-Methylaloeresin A is a natural product found in Aloe africana, Aloe perryi, and Aloe marlothii with data available.
8-C-Glucosylchromone 2-O-p-methoxycoumaroyl 5-methyl-7-hydroxy 2-acetonyl
Ligustrosidic acid
Ligustrosidic acid is a natural product found in Ligustrum lucidum and Ligustrum japonicum with data available. Ligustrosidic acid is a natural compound isolated from ligustrum japonicum and ligustrum lucidum[1]. Ligustrosidic acid is a natural compound isolated from ligustrum japonicum and ligustrum lucidum[1].
methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
Biflavonoid-flavone base + 3O and flavanone base + 2O + 1MeO
Annotation level-3
7-O-[beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranosyl]demethylsuberosin
2,3,4,5,6-pentahydroxybenzophenone-(4-O-acetyl-3-O-benzoyl)-O-alpha-L-rhamnopyranoside|petiolin H
6-O-[(6-O-allophanyl)-beta-D-glucopyranosyl]-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one
(2S)-2-<2-(6-methoxy)-naphthyl>propyonyl 2-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
2,3,4,5,6-pentahydroxybenzophenone-(4-O-acetyl-2-O-benzoyl)-O-alpha-L-rhamnopyranoside|petiolin I
Me glycoside,3-nenzyl,tetra-Ac-beta-Pyranose-4-O-alpha-D-Xylopyranosyl-D-xylose
(2S)-2,3-dihydroisocryptomerin|2,3-dihydroisocryptomerin
(7S,8R)-4,7,9,9-tetrahydroxy-3,3-dimethoxy-7-oxo-8-4-oxyneolignan-4-O-beta-D-glucopyranoside|arctiinoside A
6-O-[(6-O-malonyl)-beta-D-glucopyranosyl]-5-methoxy-7-phenyl-3H-benzo[de]isochromen-1-one
4-(O-beta-D-glucopyranosyl)-7,9-dihydroxy-3,3,5-trimethoxy-8,4-oxy-9-norneolignan-7-one
(1S*,2R*,3S*,6S*,7R*,8R*,9S*,10S*,11R*,13Z)-3,9-diacetoxy-6-chloro-8-hydroxy-2-propionyloxybriara-5(16),13-diene-12,18-dione|3, 9-Di-Ac, 2-propanoyl-6-Chloro-2, 3, 8, 9-tetrahydroxy-12-oxo-5(16), 13-briaradien-18, 7-olide
(-)-massoniresinol 4-O-beta-D-glucopyranoside|(-)-massoniresinol 4-O-beta-D-glucopyranoside|(-)-Massoniresinol 4-O-??-D-glucopyranoside
6-methoxysorigenin-8-O-rutinoside|8,9-dihydroxy-6-methoxy-naphthalide 8-O-beta-rutinoside
(-)-(7S,8R,7E)-4,7,9,3,9-pentahydroxy-3,5-dimethoxy-8-4-oxyneolign-7-ene-3-O-beta-D-glucopyranoside
(2S,4S)-7-hydroxy-5,8-dimethoxyflavan-(4->6)-5-hydroxy-7-methoxy-flavanone|sarcandrone D
rel-1beta-(4,6-dihydroxy-2-methoxy)benzoyl-2alpha-(2,6-dimethoxy-4-hydroxy)benzoyl-(3beta,4alpha)-diphenylcyclobutane|rel-1??-(4,6-Dihydroxy-2-methoxy)-benzoyl-rel-2??-(2,6-dimethoxy-4-hydroxy)-benzoyl-rel-(3??,4??)-diphenylcyclobutane
(2S,4S)-7-hydroxy-5,8-dimethoxyflavan-(4->8)-7-hydroxy-5-methoxy-flavanone|sarcandrone C
(8aR)-13-amino-11-chloro-4t,15,16-trihydroxy-1t-methoxy-12-methyl-(8ar)-1,2,3,4,8a,13-hexahydro-9H-chromeno[3,2:6,7][1,3]dioxino[4,5,6:4,5]naphtho[2,1-g]isoquinoline-5,14-dione|4-Chlor-albofungin|Chlor-Albofungin
cleistanthin D
A member of the class of cleistanthins that is cleistanthin A in which the 3,4-di-O-methyl-D-xylopyranosyl group is replaced by a 2,3,4-tri-O-methyl-D-xylofuranosyl group.
2,3-Dihydro-4-O-methyl amentoflavone|2,3-dihydro-4-O-methylamentoflavone
2,3-Dihydropodocarpusflavone A
2,3-Dihydropodocarpusflavone A is a natural product found in Cycas beddomei with data available.
C26H34O13_Methyl (4aS,5R,7S,7aS)-1-(beta-D-glucopyranosyloxy)-7-hydroxy-5-{[3-(4-hydroxyphenyl)propanoyl]oxy}-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate
methyl (4aS,5R,7S,7aS)-7-hydroxy-5-[3-(4-hydroxyphenyl)propanoyloxy]-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate_major
Asp Glu Glu Tyr
Asp Glu Tyr Glu
Asp Tyr Glu Glu
Glu Asp Glu Tyr
Glu Asp Tyr Glu
Glu Glu Asp Tyr
Glu Glu Tyr Asp
Glu Tyr Asp Glu
Glu Tyr Glu Asp
Tyr Asp Glu Glu
Tyr Glu Asp Glu
Tyr Glu Glu Asp
Green S
C27H26N2O7S2 (554.1181366000001)
Lippioside II
Marmesin rutinoside
(4-formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate,4-pyrrolidin-1-yl-1-(2,4,6-trimethoxyphenyl)butan-1-one
6-Chloro-Benzotriazole-1-yl-oxy-tris-Pyrrolidino-Phosphonium Hexafluorophosphate
C18H27ClF6N6OP2 (554.1314213999999)
Rolapitant Hydrochloride
C25H29ClF6N2O3 (554.1770786000001)
D018377 - Neurotransmitter Agents > D064729 - Neurokinin-1 Receptor Antagonists C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent Rolapitant hydrochloride hydrate (SCH619734 hydrochloride hydrate) is a potent, selective, long-acting and orally active neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. Rolapitant hydrochloride hydrate does not interact with CYP3A4. Rolapitant hydrochloride hydrate shows potent anti-emetic activity in a ferret emesis model[1][2].
Bedaquiline
J - Antiinfectives for systemic use > J04 - Antimycobacterials > J04A - Drugs for treatment of tuberculosis D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D000995 - Antitubercular Agents C254 - Anti-Infective Agent > C52588 - Antibacterial Agent > C280 - Antitubercular Agent
(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfonyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
(R,S)-Ambrisentan-acyl-beta-D-glucuronide min. 95\\%
6-[[3-[(Dimethylamino)carbonyl]phenyl]sulfonyl]-4-[(3-methoxyphenyl)amino]-8-methyl-3-quinolinecarboxamide hydrochloride
Desmethyldescarbamoylnovobiocin(1-)
An organic anion obtained by selective deprotonation of the 4-hydroxy group on the chromene ring of desmethyldescarbamoylnovobiocin.
[(2R,3S,4S)-4-hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3S,4S)-3,4,5-trihydroxy-1-oxopentan-2-yl] hydrogen phosphate
Cudranian 1
A flavonol 7-O-beta-D-glucoside that is kaempferol substituted by a p-hydroxybenzyl group at position 6 and a beta-D-glucopyranosyl moiety at position 7 via a glycosidic linkage. It is isolated from the root barks of Cudrania tricuspidata and exhibits radical scavenging effects against 1, 1-diphenyl-2-picrylhydrazyl (DPPH) and anti-lipid peroxidation efficacy on human low-density lipoprotein by TBARS assay.
1,2-dibutyryl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate)
A 1-phosphatidyl-1D-myo-inositol 5-phosphate in which both phosphatidyl acyl groups are specified as butanoyl.
[4,5-Bis[(4-methoxyphenyl)imino]-3-phenyl-2-sulfanylidene-1-imidazolidinyl]-(4-chlorophenyl)methanone
C30H23ClN4O3S (554.1179318000001)
2-acetamido-6-O-(5-acetamido-9-O-acetyl-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl)-2-deoxy-D-galactopyranose
[(2R,3S,4S,5S)-4-Hydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl] [(3R,4S,5S)-2,4,5-trihydroxyoxan-3-yl] hydrogen phosphate
alpha-9-Ac-NeuNAc-(2->6)-GalNAc
An amino disaccharide epitope consisting of an N-acetylglucosamine having an N-acetyl-9-O-acetylneuraminic acid attached via an alpha-(2->6)-linkage
Agrocinopine A
A member of the class of agrocinopines that consists of sucrose and L-arabinose units joined via a phosphodiester linkage between position 4(F) of sucrose and position 2 of arabinose.
GSK837149A
GSK837149A is a selective inhibitor of human Fatty Acid Synthase (FASN) targeting the KR domain. GSK837149A has reversible inhibition effect on FASN and selectivity for type I FASN (Ki=30 nM). GSK837149A is also a competitive inhibitor of NADPH and a non-competitive inhibitor of acetoacetyl-CoA. GSK837149A can be used for the research of obesity and breast cancer[1][2].
Siremadlin
Siremadlin (NVP-HDM201) is a potent, orally bioavailable and highly specific p53-MDM2 interaction inhibitor.