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CHEBI:168969 - 5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide

ChEBI IDCHEBI:168969
ChEBI Name5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H24O13
Net Charge0
Average Mass520.443
Monoisotopic Mass520.12169
SMILESCOc1cccc(O[C@@H]2O[C@@H](C(=O)O)[C@@H](O)C(O)C2O)c1-c1cc(=O)c2c(O)cc(OC)c(OC)c2o1
InChIInChI=1S/C24H24O13/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/h4-8,17-19,22,24,26-29H,1-3H3,(H,30,31)/t17?,18-,19?,22+,24+/m0/s1
InChIKeyPQLPFYVPSLASRG-DTMFMLMCSA-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'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide (CHEBI:168969) is a ether (CHEBI:25698)
5,2'-Dihydroxy-7,8,6'-trimethoxyflavone 2'-glucuronide (CHEBI:168969) is a flavonoids (CHEBI:72544)
IUPAC Name 
(2R,3S,6S)-3,4,5-trihydroxy-6-[2-(5-hydroxy-7,8-dimethoxy-4-oxochromen-2-yl)-3-methoxyphenoxy]oxane-2-carboxylic acid
Manual XrefsDatabases
24844185ChemSpider
LMPK12111297LIPID MAPS