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CHEBI:185592 - 5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside

Default Structure
ChEBI IDCHEBI:185592
ChEBI Name5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O12
Net Charge0
Average Mass534.514
Monoisotopic Mass534.17373
SMILESCc1c(O[C@@H]2OC[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)C3O)C2O)cc2c(c1O)C(=O)CC(c1ccccc1)O2
InChIInChI=1S/C26H30O12/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/h2-6,8,14-15,17,21-26,28-33H,7,9-10H2,1H3/t14-,15-,17?,21+,22?,23?,24+,25+,26+/m1/s1
InChIKeyKOZCDRWEXYNWCQ-TYNRKKRISA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside (CHEBI:185592) is a flavonoids (CHEBI:72544)
5,7-Dihydroxy-6-C-methylflavanone 7-xylosyl-(1->3)-xyloside (CHEBI:185592) 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-phenyl-2,3-dihydrochromen-4-one
Manual XrefsDatabases
24846290ChemSpider
LMPK12140134LIPID MAPS