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CHEBI:168214 - 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside

ChEBI IDCHEBI:168214
ChEBI Name2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H44O14
Net Charge0
Average Mass664.701
Monoisotopic Mass664.27311
SMILESCOc1ccc(C2CCc3ccc(OC4OC(CO)C(O)C(O)C4O)c(CC=C(C)C)c3O2)c(OC2OC(CO)C(O)C(O)C2O)c1
InChIInChI=1S/C33H44O14/c1-15(2)4-8-19-21(44-32-29(40)27(38)25(36)23(13-34)46-32)11-6-16-5-10-20(43-31(16)19)18-9-7-17(42-3)12-22(18)45-33-30(41)28(39)26(37)24(14-35)47-33/h4,6-7,9,11-12,20,23-30,32-41H,5,8,10,13-14H2,1-3H3
InChIKeyOZZNZDSQQZCOEV-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)
2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside (CHEBI:168214) is a flavonoids (CHEBI:72544)
2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside (CHEBI:168214) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(hydroxymethyl)-6-[[2-[4-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-7-yl]oxy]oxane-3,4,5-triol
Manual XrefsDatabases
HMDB0036400HMDB
74886457ChemSpider