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CHEBI:187416 - Geranioloxyalatum flavone

Default Structure
ChEBI IDCHEBI:187416
ChEBI NameGeranioloxyalatum flavone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O9
Net Charge0
Average Mass502.560
Monoisotopic Mass502.22028
SMILESCOc1cc2oc(-c3ccc(OCCC(C)CCCC(C)(C)O)c(O)c3)c(O)c(=O)c2c(O)c1OC
InChIInChI=1S/C27H34O9/c1-15(7-6-11-27(2,3)32)10-12-35-18-9-8-16(13-17(18)28)25-24(31)22(29)21-19(36-25)14-20(33-4)26(34-5)23(21)30/h8-9,13-15,28,30-32H,6-7,10-12H2,1-5H3
InChIKeyXLUWWEZLAOLITG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Geranioloxyalatum flavone (CHEBI:187416) is a hydroxyflavan (CHEBI:72010)
IUPAC Name 
3,5-dihydroxy-2-[3-hydroxy-4-(7-hydroxy-3,7-dimethyloctoxy)phenyl]-6,7-dimethoxychromen-4-one
Manual XrefsDatabases
8776911ChemSpider
LMPK12112977LIPID MAPS