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

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ChEBI Name 2',7-Dihydroxy-4'-methoxy-8-prenylflavan 2',7-diglucoside
ChEBI ID CHEBI:168214
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C33H44O14
Net Charge 0
Average Mass 664.701
Monoisotopic Mass 664.27311
InChI InChI=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
InChIKey OZZNZDSQQZCOEV-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(C=3OC(CCC3C=C2)C4=C(OC5OC(C(O)C(O)C5O)CO)C=C(OC)C=C4)CC=C(C)C)CO
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
74886457 ChemSpider
HMDB0036400 HMDB
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