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CHEBI:226314 - Spinodiene B

ChEBI IDCHEBI:226314
ChEBI NameSpinodiene B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H32
Net Charge0
Average Mass272.476
Monoisotopic Mass272.25040
SMILESC=C(C)[C@H]1CC[C@]2(C)[C@@H]1CCC(=C)[C@@H]1CC[C@H](C)C[C@H]12
InChIInChI=1S/C20H32/c1-13(2)16-10-11-20(5)18(16)9-7-15(4)17-8-6-14(3)12-19(17)20/h14,16-19H,1,4,6-12H2,2-3,5H3/t14-,16+,17-,18+,19+,20+/m0/s1
InChIKeyBVVLUVMIZAWMHA-BQKWTINTSA-N
Species of MetaboliteComponentSourceComments
Saccharopolysporaspeciesnosa (ncbitaxon:60894) - PubMed (30426646)
ChEBI Ontology
Outgoing Relation(s)
Spinodiene B (CHEBI:226314) is a hydrocarbon (CHEBI:24632)
IUPAC Name 
(3S,3aR,6aR,9S,10aR,10bR)-9,10b-dimethyl-6-methylidene-3-prop-1-en-2-yl-1,2,3,3a,4,5,6a,7,8,9,10,10a-dodecahydrobenzo[e]azulene