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CHEBI:174334 - Acorusdiol

Default Structure
ChEBI IDCHEBI:174334
ChEBI NameAcorusdiol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O3
Net Charge0
Average Mass252.354
Monoisotopic Mass252.17254
SMILESCC1=C2C(=O)[C@H](C(C)C)CC[C@@]2(C)[C@H](O)C[C@H]1O
InChIInChI=1S/C15H24O3/c1-8(2)10-5-6-15(4)12(17)7-11(16)9(3)13(15)14(10)18/h8,10-12,16-17H,5-7H2,1-4H3/t10-,11+,12+,15-/m0/s1
InChIKeyXMGSOQRMWQXOKH-YFCNSXCBSA-N
ChEBI Ontology
Outgoing Relation(s)
Acorusdiol (CHEBI:174334) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(2S,4aR,5R,7R)-5,7-dihydroxy-4a,8-dimethyl-2-propan-2-yl-2,3,4,5,6,7-hexahydronaphthalen-1-one
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