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CHEBI:224463 - Atranone S

ChEBI IDCHEBI:224463
ChEBI NameAtranone S
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SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O5
Net Charge0
Average Mass402.531
Monoisotopic Mass402.24062
SMILESC/C1=C\[C@H]2/C(=C(/C)CC[C@@]3(CO)C(=O)C=C(C(C)C)[C@@H]3CC1)OC(=O)[C@@H]2[C@H](C)O
InChIInChI=1S/C24H34O5/c1-13(2)17-11-20(27)24(12-25)9-8-15(4)22-18(10-14(3)6-7-19(17)24)21(16(5)26)23(28)29-22/h10-11,13,16,18-19,21,25-26H,6-9,12H2,1-5H3/b14-10+,22-15+/t16-,18+,19-,21+,24-/m0/s1
InChIKeyOGQJKDBMOPJLJD-IAVGWBPFSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (31265296)
ChEBI Ontology
Outgoing Relation(s)
Atranone S (CHEBI:224463) is a oxolanes (CHEBI:26912)
IUPAC Name 
(1R,4E,8S,9R,10E,14S)-8-[(1S)-1-hydroxyethyl]-1-(hydroxymethyl)-4,11-dimethyl-15-propan-2-yl-6-oxatricyclo[12.3.0.05,9]heptadeca-4,10,15-triene-7,17-dione
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77089192ChemSpider