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CHEBI:205491 - A88696C

ChEBI IDCHEBI:205491
ChEBI NameA88696C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O3
Net Charge0
Average Mass346.511
Monoisotopic Mass346.25079
SMILESCC[C@@H]1C[C@]23OC(=O)C(=C2O)C[C@@H](C)C[C@H](C)CCC[C@]3(C)C=C1C
InChIInChI=1S/C22H34O3/c1-6-17-13-22-19(23)18(20(24)25-22)11-15(3)10-14(2)8-7-9-21(22,5)12-16(17)4/h12,14-15,17,23H,6-11,13H2,1-5H3/t14-,15+,17-,21-,22+/m1/s1
InChIKeyTWZNZLPMIFOBPA-ZJDUZLJUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sclerotialus (ncbitaxon:1957) - DOI (10.1016/s0040-4039(00)61494-6)
ChEBI Ontology
Outgoing Relation(s)
A88696C (CHEBI:205491) is a butenolide (CHEBI:50523)
IUPAC Name 
(1R,3R,6R,10R,12S)-3-ethyl-17-hydroxy-4,6,10,12-tetramethyl-16-oxatricyclo[12.2.1.01,6]heptadeca-4,14(17)-dien-15-one
Manual XrefsDatabases
78440221ChemSpider