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CHEBI:190117 - 7-O-Methylpeltogynol

ChEBI IDCHEBI:190117
ChEBI Name7-O-Methylpeltogynol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILES[H][C@@]12OCc3cc(O)c(O)cc3[C@@]1([H])Oc1cc(OC)ccc1[C@H]2O
InChIInChI=1S/C17H16O6/c1-21-9-2-3-10-14(5-9)23-16-11-6-13(19)12(18)4-8(11)7-22-17(16)15(10)20/h2-6,15-20H,7H2,1H3/t15-,16-,17+/m1/s1
InChIKeyITTMSOHPADBFBP-ZACQAIPSSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
ChEBI Ontology
Outgoing Relation(s)
7-O-Methylpeltogynol (CHEBI:190117) is a extended flavonoid (CHEBI:71037)
IUPAC Name 
(6aS,7R,12aR)-10-methoxy-5,6a,7,12a-tetrahydroisochromeno[4,3-b]chromene-2,3,7-triol
Manual XrefsDatabases
24842634ChemSpider
LMPK12020223LIPID MAPS