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CHEBI:203928 - Tornabeatin A

ChEBI IDCHEBI:203928
ChEBI NameTornabeatin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H38O3
Net Charge0
Average Mass350.543
Monoisotopic Mass350.28210
SMILESCCCCCC/C=C\CCCCCCC/C=C1/C[C@](C)(CO)OC1=O
InChIInChI=1S/C22H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18-22(2,19-23)25-21(20)24/h8-9,17,23H,3-7,10-16,18-19H2,1-2H3/b9-8-,20-17-/t22-/m1/s1
InChIKeyWAOINSYXSKSPET-AOSRDESISA-N
Species of MetaboliteComponentSourceComments
Tornabea scutellifera (ncbitaxon:205647) - PubMed (15451325)
ChEBI Ontology
Outgoing Relation(s)
Tornabeatin A (CHEBI:203928) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3Z,5R)-3-[(Z)-hexadec-9-enylidene]-5-(hydroxymethyl)-5-methyloxolan-2-one
Manual XrefsDatabases
9602947ChemSpider