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CHEBI:201051 - Sterelactone B

ChEBI IDCHEBI:201051
ChEBI NameSterelactone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC21H26O6
Net Charge0
Average Mass374.433
Monoisotopic Mass374.17294
SMILESCCCCCC(=O)O[C@@H]1C2=C(C=O)[C@@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@H]4O
InChIInChI=1S/C21H26O6/c1-4-5-6-7-14(23)26-16-15-12(8-19(16,2)3)9-20-11-21(20,13(15)10-22)18(25)27-17(20)24/h8,10,16,18,25H,4-7,9,11H2,1-3H3/t16-,18-,20-,21-/m1/s1
InChIKeyMQPOERGLRKKIDH-KRZXBLKESA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (19160524)
ChEBI Ontology
Outgoing Relation(s)
Sterelactone B (CHEBI:201051) is a δ-lactone (CHEBI:18946)
IUPAC Name 
[(1S,4S,9S,12R)-2-ormyl-12-hydroxy-5,5-dimethyl-10-oxo-11-oxatetracyclo[7.3.1.01,9.03,7]trideca-2,6-dien-4-yl] hexanoate
Manual XrefsDatabases
78436711ChemSpider