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CHEBI:212123 - Tornabeatin B

ChEBI IDCHEBI:212123
ChEBI NameTornabeatin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H42O3
Net Charge0
Average Mass378.597
Monoisotopic Mass378.31340
SMILESCCCCCCCC/C=C\CCCCCCC/C=C1/C[C@](C)(CO)OC1=O
InChIInChI=1S/C24H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20-24(2,21-25)27-23(22)26/h10-11,19,25H,3-9,12-18,20-21H2,1-2H3/b11-10-,22-19-/t24-/m1/s1
InChIKeyCLXWJGFIWMDDFW-LGMYWSDMSA-N
Species of MetaboliteComponentSourceComments
Tornabea scutellifera (ncbitaxon:205647) - PubMed (15451325)
ChEBI Ontology
Outgoing Relation(s)
Tornabeatin B (CHEBI:212123) is a γ-lactone (CHEBI:37581)
IUPAC Name 
(3Z,5R)-5-(hydroxymethyl)-5-methyl-3-[(Z)-octadec-9-enylidene]oxolan-2-one
Manual XrefsDatabases
9637921ChemSpider