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CHEBI:230008 - Edulisin V

ChEBI IDCHEBI:230008
ChEBI NameEdulisin V
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28O7
Net Charge0
Average Mass428.481
Monoisotopic Mass428.18350
SMILESC/C=C(/C)C(=O)OC(C)(C)C1Oc2ccc3ccc(=O)oc3c2C1OC(=O)C(C)CC
InChIInChI=1S/C24H28O7/c1-7-13(3)22(26)30-20-18-16(11-9-15-10-12-17(25)29-19(15)18)28-21(20)24(5,6)31-23(27)14(4)8-2/h8-13,20-21H,7H2,1-6H3/b14-8-
InChIKeyOQNKRWQPITVLBZ-ZSOIEALJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
Edulisin V (CHEBI:230008) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[8-[2-[(Z)-2-methylbut-2-enoyl]oxypropan-2-yl]-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] 2-methylbutanoate
Manual XrefsDatabases
35015125ChemSpider
HMDB0041198HMDB