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CHEBI:193277 - 7-O-Methyltectorigenin 4'-O-gentiobioside

ChEBI IDCHEBI:193277
ChEBI Name7-O-Methyltectorigenin 4'-O-gentiobioside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H34O16
Net Charge0
Average Mass638.575
Monoisotopic Mass638.18469
SMILESCOc1cc2occ(-c3ccc(O[C@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@H](O)C(O)C4O)cc3)c(=O)c2c(O)c1OC
InChIInChI=1S/C29H34O16/c1-39-15-7-14-18(22(34)27(15)40-2)19(31)13(9-41-14)11-3-5-12(6-4-11)43-29-26(38)24(36)21(33)17(45-29)10-42-28-25(37)23(35)20(32)16(8-30)44-28/h3-7,9,16-17,20-21,23-26,28-30,32-38H,8,10H2,1-2H3/t16?,17?,20-,21+,23+,24?,25?,26?,28-,29+/m1/s1
InChIKeyGEVYZCAPWHGAOB-OAZCAZALSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS5335)
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
EC 1.14.18.1 (tyrosinase) inhibitor  Any EC 1.14.18.* (oxidoreductase acting on paired donors, miscellaneous compound as one donor, incorporating 1 atom of oxygen) inhibitor that interferes with the action of tyrosinase (monophenol monooxygenase), EC 1.14.18.1, an enzyme that catalyses the oxidation of phenols (such as tyrosine) and is widespread in plants and animals.
ChEBI Ontology
Outgoing Relation(s)
7-O-Methyltectorigenin 4'-O-gentiobioside (CHEBI:193277) is a acrovestone (CHEBI:2440)
7-O-Methyltectorigenin 4'-O-gentiobioside (CHEBI:193277) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5-hydroxy-6,7-dimethoxy-3-[4-[(2R,5R)-3,4,5-trihydroxy-6-[[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyphenyl]chromen-4-one
Manual XrefsDatabases
24842861ChemSpider
LMPK12050377LIPID MAPS