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CHEBI:210835 - A88696F

ChEBI IDCHEBI:210835
ChEBI NameA88696F
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SubmitterMetaboLights
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCC[C@@H]1C[C@]23OC(=O)C(=C2O)[C@@H](O)[C@@H](C)C[C@H](C)CCC[C@]3(C)C=C1C
InChIInChI=1S/C22H34O4/c1-6-16-12-22-19(24)17(20(25)26-22)18(23)14(3)10-13(2)8-7-9-21(22,5)11-15(16)4/h11,13-14,16,18,23-24H,6-10,12H2,1-5H3/t13-,14+,16-,18+,21-,22+/m1/s1
InChIKeyYNFLDFCGSWUJDT-MREMGJDTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces sclerotialus (ncbitaxon:1957) - DOI (10.1016/s0040-4039(00)61494-6)
ChEBI Ontology
Outgoing Relation(s)
A88696F (CHEBI:210835) is a butenolide (CHEBI:50523)
IUPAC Name 
(1R,3R,6R,10R,12S,13S)-3-ethyl-13,17-dihydroxy-4,6,10,12-tetramethyl-16-oxatricyclo[12.2.1.01,6]heptadeca-4,14(17)-dien-15-one
Manual XrefsDatabases
59007314ChemSpider