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CHEBI:168566 - 5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside

ChEBI IDCHEBI:168566
ChEBI Name5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H28O12
Net Charge0
Average Mass532.498
Monoisotopic Mass532.15808
SMILESCc1c(O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)C3O)C2O)cc2oc(-c3ccccc3)cc(=O)c2c1O
InChIInChI=1S/C26H28O12/c1-11-16(8-18-19(20(11)30)13(27)7-17(36-18)12-5-3-2-4-6-12)37-26-23(33)24(15(29)10-35-26)38-25-22(32)21(31)14(28)9-34-25/h2-8,14-15,21-26,28-33H,9-10H2,1H3/t14-,15-,21+,22?,23?,24+,25+,26+/m1/s1
InChIKeyASWUBIWKIIGACS-DCEHCQRYSA-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)
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside (CHEBI:168566) is a flavonoids (CHEBI:72544)
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside (CHEBI:168566) is a glycoside (CHEBI:24400)
IUPAC Name 
7-[(2S,4S,5R)-3,5-dihydroxy-4-[(2S,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-methyl-2-phenylchromen-4-one
Manual XrefsDatabases
24843219ChemSpider
LMPK12110144LIPID MAPS