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CHEBI:196136 - alpha-Rotunol

ChEBI IDCHEBI:196136
ChEBI Namealpha-Rotunol
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SubmitterMetaboLights
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FormulaC15H22O2
Net Charge0
Average Mass234.339
Monoisotopic Mass234.16198
SMILESC=C(C)[C@@H]1CC[C@@]2(C)CC(=O)C=C(C)[C@]2(O)C1
InChIInChI=1S/C15H22O2/c1-10(2)12-5-6-14(4)9-13(16)7-11(3)15(14,17)8-12/h7,12,17H,1,5-6,8-9H2,2-4H3/t12-,14+,15-/m1/s1
InChIKeyWDFLKCAWQQMJCA-VHDGCEQUSA-N
ChEBI Ontology
Outgoing Relation(s)
alpha-Rotunol (CHEBI:196136) is a eudesmane sesquiterpenoid (CHEBI:62508)
IUPAC Name 
(4aS,6R,8aS)-4a-hydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-one
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