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CHEBI:168551 - 5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside

ChEBI IDCHEBI:168551
ChEBI Name5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O13
Net Charge0
Average Mass536.486
Monoisotopic Mass536.15299
SMILESCOc1cc(OC2OC(CO)C(O)C(O)C2O)c2c(=O)cc(-c3ccc(O)c(OC)c3OC)oc2c1OC
InChIInChI=1S/C25H28O13/c1-32-15-8-14(37-25-20(31)19(30)18(29)16(9-26)38-25)17-12(28)7-13(36-24(17)23(15)35-4)10-5-6-11(27)22(34-3)21(10)33-2/h5-8,16,18-20,25-27,29-31H,9H2,1-4H3
InChIKeyDOOHDGFTLGCFTC-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)
5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside (CHEBI:168551) is a flavonoids (CHEBI:72544)
5,4'-Dihidroxy-7,8,2',3'-tetramethoxy flavone 5-glucoside (CHEBI:168551) is a glycoside (CHEBI:24400)
IUPAC Name 
2-(4-hydroxy-2,3-dimethoxyphenyl)-7,8-dimethoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Manual XrefsDatabases
24844271ChemSpider
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