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CHEBI:168655 - (7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside

ChEBI IDCHEBI:168655
ChEBI Name(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O11
Net Charge0
Average Mass508.520
Monoisotopic Mass508.19446
SMILESCOc1cc(C2Oc3c(O)cc(CCCO)cc3C2COC2OC(CO)C(O)C(O)C2O)ccc1O
InChIInChI=1S/C25H32O11/c1-33-18-9-13(4-5-16(18)28)23-15(11-34-25-22(32)21(31)20(30)19(10-27)35-25)14-7-12(3-2-6-26)8-17(29)24(14)36-23/h4-5,7-9,15,19-23,25-32H,2-3,6,10-11H2,1H3
InChIKeyIZPTZYWDXAUURH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
(7'R,8'R)-4,7'-Epoxy-3'-methoxy-4',5,9,9'-lignanetetrol 9'-glucoside (CHEBI:168655) is a benzofurans (CHEBI:35259)
IUPAC Name 
2-[[7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzouran-3-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0038710HMDB