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CHEBI:172712 - Edulisin I

ChEBI IDCHEBI:172712
ChEBI NameEdulisin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H26O8
Net Charge0
Average Mass490.508
Monoisotopic Mass490.16277
SMILESCC(C)=CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC1C(C)(C)OC(=O)/C=C/c1ccc(O)cc1
InChIInChI=1S/C28H26O8/c1-16(2)15-23(32)35-26-24-20(12-8-18-9-14-21(30)34-25(18)24)33-27(26)28(3,4)36-22(31)13-7-17-5-10-19(29)11-6-17/h5-15,26-27,29H,1-4H3/b13-7+
InChIKeyJZZJEBOMWXWTEY-NTUHNPAUSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Edulisin I (CHEBI:172712) is a furanocoumarin (CHEBI:24128)
IUPAC Name 
[8-[2-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropan-2-yl]-2-oxo-8,9-dihydrouro[2,3-h]chromen-9-yl] 3-methylbut-2-enoate
Manual XrefsDatabases
35013235ChemSpider
HMDB0030594HMDB