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CHEBI:197017 - Biochanin A 7-O-rutinoside

ChEBI IDCHEBI:197017
ChEBI NameBiochanin A 7-O-rutinoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O14
Net Charge0
Average Mass592.550
Monoisotopic Mass592.17921
SMILESCOc1ccc(-c2coc3cc(O[C@@H]4OC(CO[C@@H]5OC(C)[C@H](O)C(O)[C@@H]5O)[C@@H](O)[C@H](O)C4O)cc(O)c3c2=O)cc1
InChIInChI=1S/C28H32O14/c1-11-20(30)23(33)25(35)27(40-11)39-10-18-22(32)24(34)26(36)28(42-18)41-14-7-16(29)19-17(8-14)38-9-15(21(19)31)12-3-5-13(37-2)6-4-12/h3-9,11,18,20,22-30,32-36H,10H2,1-2H3/t11?,18?,20-,22+,23?,24-,25-,26?,27+,28+/m0/s1
InChIKeyWWSNSDWQADMAJB-BUYITTQCSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
Roles Classification
Chemical Role:
antioxidant  A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:
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.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Biochanin A 7-O-rutinoside (CHEBI:197017) is a acrovestone (CHEBI:2440)
Biochanin A 7-O-rutinoside (CHEBI:197017) is a isoflavonoid (CHEBI:50753)
IUPAC Name 
5-hydroxy-3-(4-methoxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-[[(2R,3S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
LMPK12050220LIPID MAPS
24842782ChemSpider