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CHEBI:230685 - zooxanthellactone

Default Structure
ChEBI IDCHEBI:230685
ChEBI Namezooxanthellactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H30O2
Net Charge0
Average Mass326.480
Monoisotopic Mass326.22458
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@@H]1CCC(=O)O1
InChIInChI=1S/C22H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22(23)24-21/h3-4,6-7,9-10,12-13,15-18,21H,2,5,8,11,14,19-20H2,1H3/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+/t21-/m1/s1
InChIKeyWCLSJZFZJIIXNP-HBUOOPIGSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
zooxanthellactone (CHEBI:230685) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(5S)-5-[(1E,3Z,6Z,9Z,12Z,15Z)-octadeca-1,3,6,9,12,15-hexaenyl]oxolan-2-one
Manual XrefsDatabases
10480331ChemSpider
LMFA01031131LIPID MAPS