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CHEBI:230748 - eschscholtzxanthone

Default Structure
ChEBI IDCHEBI:230748
ChEBI Nameeschscholtzxanthone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H52O2
Net Charge0
Average Mass564.854
Monoisotopic Mass564.39673
SMILESCC1=CC(=O)CC(C)(C)/C1=C/C=C(C)/C=C/C=C(C)/C=C/C=C/C(C)=C/C=C/C(C)=C/C=C1\C(C)=C[C@@H](O)CC1(C)C
InChIInChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35,41H,27-28H2,1-10H3/b15-11+,16-12+,19-13+,20-14+,29-17+,30-18+,31-21+,32-22+,37-23+,38-24+/t35-/m1/s1
InChIKeyGDALYDGIVMUXTI-AKBIDAKBSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
eschscholtzxanthone (CHEBI:230748) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(4Z)-4-[(2E,4E,6E,8E,10E,12E,14E,16E,18Z)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-ylidene]-3,7,12,16-tetramethyloctadeca-2,4,6,8,10,12,14,16-octaenylidene]-3,5,5-trimethylcyclohex-2-en-1-one
Manual XrefsDatabases
17220883ChemSpider
LMPR01070044LIPID MAPS