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CHEBI:186599 - 5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)

Default Structure
ChEBI IDCHEBI:186599
ChEBI Name5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H22O13
Net Charge0
Average Mass518.427
Monoisotopic Mass518.10604
SMILESO=C(O)CC(=O)OCC1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C24H22O13/c25-11-6-12(10-4-2-1-3-5-10)35-13-7-14(19(29)21(31)18(11)13)36-24-23(33)22(32)20(30)15(37-24)9-34-17(28)8-16(26)27/h1-7,15,20,22-24,29-33H,8-9H2,(H,26,27)/t15?,20-,22+,23?,24-/m1/s1
InChIKeyNLRUTPIOMCJQKC-YXMIPKSVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Nitrosopumilus maritimus str. SCM1 (ncbitaxon:436308) cell culture (BTO:0000214) MetaboLights (MTBLS3714)
ChEBI Ontology
Outgoing Relation(s)
5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) (CHEBI:186599) is a flavonoids (CHEBI:72544)
5,6,7-Trihydroxyflavone 7-(6''-malonylglucoside) (CHEBI:186599) is a glycoside (CHEBI:24400)
IUPAC Name 
3-[[(3S,4S,6S)-6-(5,6-dihydroxy-4-oxo-2-phenylchromen-7-yl)oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid
Manual XrefsDatabases
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