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CHEBI:201076 - Stereumin A

ChEBI IDCHEBI:201076
ChEBI NameStereumin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H22O4
Net Charge0
Average Mass266.337
Monoisotopic Mass266.15181
SMILESC=C1CO[C@]2(O)C[C@H](C)[C@H]3C[C@H](O)C(C)=C[C@@H]3[C@]12O
InChIInChI=1S/C15H22O4/c1-8-4-12-11(5-13(8)16)9(2)6-14(17)15(12,18)10(3)7-19-14/h4,9,11-13,16-18H,3,5-7H2,1-2H3/t9-,11+,12-,13-,14+,15+/m0/s1
InChIKeyNKEGBJQNBIHVLT-VSDVIHSJSA-N
Species of MetaboliteComponentSourceComments
Stereum (ncbitaxon:5644) - PubMed (18325552)
ChEBI Ontology
Outgoing Relation(s)
Stereumin A (CHEBI:201076) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(3aR,5S,5aR,7S,9aR,9bS)-5,8-dimethyl-1-methylidene-4,5,5a,6,7,9a-hexahydrobenzo[e][1]benzouran-3a,7,9b-triol
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28285040ChemSpider