CHEBI:202272 - (1S*,6S*,11S*)-6-hydroxydolabella-3E,7E,12-trien-14-one

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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 (1S*,6S*,11S*)-6-hydroxydolabella-3E,7E,12-trien-14-one
ChEBI ID CHEBI:202272
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H30O2
Net Charge 0
Average Mass 302.458
Monoisotopic Mass 302.22458
InChI InChI=1S/C20H30O2/c1-13(2)17-12-19(22)20(5)9-8-15(4)11-16(21)10-14(3)6-7-18(17)20/h8,10,12-13,16,18,21H,6-7,9,11H2,1-5H3/b14-10+,15-8+/t16-,18-,20+/m1/s1
InChIKey HQCVRJOFBONDTQ-BZVGYOAPSA-N
SMILES O=C1C=C(C(C)C)[C@@H]2[C@@]1(CC=C(C[C@H](O)C=C(CC2)C)C)C
Metabolite of Species Details
Stachybotrys chartarum (NCBI:txid74722) See: DOI
ChEBI Ontology
Outgoing (1S*,6S*,11S*)-6-hydroxydolabella-3E,7E,12-trien-14-one (CHEBI:202272) is a diterpenoid (CHEBI:23849)
IUPAC Name
(3aS,5E,8S,9E,12aR)-8-hydroxy-3a,6,10-trimethyl-1-propan-2-yl-4,7,8,11,12,12a-hexahydrocyclopenta[11]annulen-3-one
Manual Xref Database
552779 ChemSpider
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