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CHEBI:204676 - Secovironolide

ChEBI IDCHEBI:204676
ChEBI NameSecovironolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H26O5
Net Charge0
Average Mass370.445
Monoisotopic Mass370.17802
SMILESCC(=O)[C@H]1CC[C@H]2C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C2=COC(=O)[C@@]21C3=O
InChIInChI=1S/C22H26O5/c1-11(23)12-4-5-13-17-14(6-8-20(12,13)2)21(3)9-7-16(24)15-10-27-19(26)22(15,21)18(17)25/h10,12-13,16,24H,4-9H2,1-3H3/t12-,13+,16+,20-,21-,22+/m1/s1
InChIKeyQOCBDZORMFGXDV-VCGYOPBUSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - DOI (10.1016/j.tetlet.2015.10.063)
ChEBI Ontology
Outgoing Relation(s)
Secovironolide (CHEBI:204676) is a dihydrofuran (CHEBI:51659)
IUPAC Name 
(1R,4R,7S,8S,12R,15S)-7-acetyl-15-hydroxy-8,12-dimethyl-18-oxapentacyclo[10.7.0.01,16.03,11.04,8]nonadeca-3(11),16-diene-2,19-dione
Manual XrefsDatabases
40257841ChemSpider