CHEBI:224437 - Stachatranone A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Stachatranone A
ChEBI ID CHEBI:224437
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O3
Net Charge 0
Average Mass 318.457
Monoisotopic Mass 318.21949
InChI InChI=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
InChIKey ZKFQUXJPKUAAGK-IXADISSCSA-N
SMILES O=C1C=C(C(C)C)[C@H]2[C@]1(C[C@@H]3O[C@]3(C[C@@H](O)C=C(CC2)C)C)C
Metabolite of Species Details
Stachybotrys chartarum (NCBI:txid74722) See: PubMed
ChEBI Ontology
Outgoing 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 Xref Database
77089187 ChemSpider
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