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CHEBI:169376 - 5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside

ChEBI IDCHEBI:169376
ChEBI Name5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O14
Net Charge0
Average Mass566.512
Monoisotopic Mass566.16356
SMILESCOc1cc(OC)c(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C26H30O14/c1-33-11-7-12(34-2)13(39-26-22(32)21(31)18(28)16(9-27)40-26)6-10(11)23-25(37-5)20(30)17-14(38-23)8-15(35-3)24(36-4)19(17)29/h6-8,16,18,21-22,26-29,31-32H,9H2,1-5H3/t16?,18-,21?,22?,26-/m1/s1
InChIKeyNEZBWNHFSGWGDZ-SAIIAXOJSA-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)
5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside (CHEBI:169376) is a flavonoids (CHEBI:72544)
5,5'-Dihydroxy-3,6,7,2',4'-pentamethoxyflavone 5'-glucoside (CHEBI:169376) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[2,4-dimethoxy-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5-hydroxy-3,6,7-trimethoxychromen-4-one
Manual XrefsDatabases
LMPK12113044LIPID MAPS
24845606ChemSpider