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CHEBI:185200 - Kurzichalcolactone

ChEBI IDCHEBI:185200
ChEBI NameKurzichalcolactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H30O7
Net Charge0
Average Mass526.585
Monoisotopic Mass526.19915
SMILESO=C1CCCC2CC(CC(O)(C=Cc3ccccc3)O2)c2c(cc(O)c(C(=O)/C=C/c3ccccc3)c2O)O1
InChIInChI=1S/C32H30O7/c33-25(15-14-21-8-3-1-4-9-21)30-26(34)19-27-29(31(30)36)23-18-24(12-7-13-28(35)38-27)39-32(37,20-23)17-16-22-10-5-2-6-11-22/h1-6,8-11,14-17,19,23-24,34,36-37H,7,12-13,18,20H2/b15-14+,17-16?
InChIKeyGHCSEVTXYYGHAC-XWUXPZLFSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Kurzichalcolactone (CHEBI:185200) is a chalcones (CHEBI:23086)
IUPAC Name 
3,5,15-trihydroxy-15-(2-phenylethenyl)-4-[(E)-3-phenylprop-2-enoyl]-8,14-dioxatricyclo[11.3.1.02,7]heptadeca-2(7),3,5-trien-9-one
Manual XrefsDatabases
24845953ChemSpider
LMPK12120207LIPID MAPS