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CHEBI:169248 - 5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside

ChEBI IDCHEBI:169248
ChEBI Name5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H28O14
Net Charge0
Average Mass552.485
Monoisotopic Mass552.14791
SMILESCOc1cc(O)c(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OC)cc1O[C@@H]1OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C25H28O14/c1-33-11-6-10(27)9(5-12(11)38-25-21(32)20(31)17(28)15(8-26)39-25)22-24(36-4)19(30)16-13(37-22)7-14(34-2)23(35-3)18(16)29/h5-7,15,17,20-21,25-29,31-32H,8H2,1-4H3/t15?,17-,20?,21?,25-/m1/s1
InChIKeyHQQLCBLQXGBFFF-IKFVAXRFSA-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)
5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside (CHEBI:169248) is a flavonoids (CHEBI:72544)
5,2',5'-Trihydroxy-3,6,7,4'-tetramethoxyflavone 5'-glucoside (CHEBI:169248) is a glycoside (CHEBI:24400)
IUPAC Name 
5-hydroxy-2-[2-hydroxy-4-methoxy-5-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,6,7-trimethoxychromen-4-one
Manual XrefsDatabases
24845605ChemSpider
LMPK12113043LIPID MAPS