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CHEBI:184710 - 5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide

ChEBI IDCHEBI:184710
ChEBI Name5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H26O13
Net Charge0
Average Mass522.459
Monoisotopic Mass522.13734
SMILES[H][C@@]1(c2c(OC)cccc2O[C@@H]2OC(C(=O)O)[C@@H](O)[C@H](O)C2O)CC(=O)c2c(O)cc(OC)c(OC)c2O1
InChIInChI=1S/C24H26O13/c1-32-11-5-4-6-12(36-24-19(29)17(27)18(28)22(37-24)23(30)31)16(11)13-7-9(25)15-10(26)8-14(33-2)20(34-3)21(15)35-13/h4-6,8,13,17-19,22,24,26-29H,7H2,1-3H3,(H,30,31)/t13-,17-,18-,19?,22?,24+/m0/s1
InChIKeyYFJFVYFDSGLIGK-CZLOYTQASA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide (CHEBI:184710) is a ether (CHEBI:25698)
5,2'-Dihydroxy-7,8,6'-trimethoxyflavanone 2'-O-glucuronide (CHEBI:184710) is a flavonoids (CHEBI:72544)
IUPAC Name 
(3S,4S,6S)-3,4,5-trihydroxy-6-[2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-3-methoxyphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
LMPK12140641LIPID MAPS
24846609ChemSpider