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CHEBI:224437 - Stachatranone A

ChEBI IDCHEBI:224437
ChEBI NameStachatranone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESC/C1=C\[C@H](O)C[C@]2(C)O[C@H]2C[C@@]2(C)C(=O)C=C(C(C)C)[C@@H]2CC1
InChIInChI=1S/C20H30O3/c1-12(2)15-9-17(22)19(4)11-18-20(5,23-18)10-14(21)8-13(3)6-7-16(15)19/h8-9,12,14,16,18,21H,6-7,10-11H2,1-5H3/b13-8+/t14-,16-,18-,19+,20-/m0/s1
InChIKeyZKFQUXJPKUAAGK-IXADISSCSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (31265296)
ChEBI Ontology
Outgoing Relation(s)
Stachatranone A (CHEBI:224437) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
(1R,3S,5S,7R,8E,12S)-7-hydroxy-1,5,9-trimethyl-13-propan-2-yl-4-oxatricyclo[10.3.0.03,5]pentadeca-8,13-dien-15-one
Manual XrefsDatabases
77089187ChemSpider