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

ChEBI IDCHEBI:202272
ChEBI Name(1S*,6S*,11S*)-6-hydroxydolabella-3E,7E,12-trien-14-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O2
Net Charge0
Average Mass302.458
Monoisotopic Mass302.22458
SMILESC/C1=C\[C@@H](O)C/C(C)=C/C[C@]2(C)C(=O)C=C(C(C)C)[C@H]2CC1
InChIInChI=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
InChIKeyHQCVRJOFBONDTQ-BZVGYOAPSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - DOI (10.1016/s0031-9422(00)00231-4)
ChEBI Ontology
Outgoing Relation(s)
(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
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552779ChemSpider