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(Q104400796)
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alpha-Rotunol
group of stereoisomers with the chemical formula C₁₅H₂₂O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
eudesmane sesquiterpenoid
1 reference
inferred from
eudesmane sesquiterpenoid
mass
234.161979944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₂₂O₂
0 references
canonical SMILES
O=C1C=C(C)C2(O)CC(C(=C)C)CCC2(C)C1
0 references
found in taxon
Cyperus
1 reference
stated in
Structure and absolute configuration of α-rotunol and β-rotunol, sesquiterpenoids of Cyperus rotundus
Identifiers
InChI
InChI=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
0 references
InChIKey
WDFLKCAWQQMJCA-UHFFFAOYSA-N
0 references
PubChem CID
12315078
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
WDFLKCAWQQMJCA-UHFFFAOYSA-N
UniChem compound ID
31994663
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0035869
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WDFLKCAWQQMJCA-UHFFFAOYSA-N
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