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CHEBI:199706 - Sterelactone A

ChEBI IDCHEBI:199706
ChEBI NameSterelactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22O6
Net Charge0
Average Mass346.379
Monoisotopic Mass346.14164
SMILESCCCC(=O)O[C@@H]1C2=C(C=O)[C@@]34C[C@]3(CC2=CC1(C)C)C(=O)O[C@H]4O
InChIInChI=1S/C19H22O6/c1-4-5-12(21)24-14-13-10(6-17(14,2)3)7-18-9-19(18,11(13)8-20)16(23)25-15(18)22/h6,8,14,16,23H,4-5,7,9H2,1-3H3/t14-,16-,18-,19-/m1/s1
InChIKeyYUHHFGZKLBFAJS-YCEFEEMOSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (19160524)
ChEBI Ontology
Outgoing Relation(s)
Sterelactone A (CHEBI:199706) 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] butanoate
Manual XrefsDatabases
78436535ChemSpider