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(Q104402036)
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English
7-methyl-3-methylidene-6-[(Z)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
group of stereoisomers with the chemical formula C₁₅H₁₈O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
xanthane sesquiterpenoid
1 reference
inferred from
xanthane sesquiterpenoid
mass
246.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₈O₃
0 references
canonical SMILES
O=C1OC2CC(C(C=CC(=O)C)=CCC2C1=C)C
0 references
isomeric SMILES
C=C1C(=O)OC2CC(C)C(/C=C\C(C)=O)=CCC12
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4-
0 references
InChIKey
RBRPTFMVULVGIC-PLNGDYQASA-N
0 references
PubChem CID
131751996
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RBRPTFMVULVGIC-PLNGDYQASA-N
UniChem compound ID
32016268
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0036473
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RBRPTFMVULVGIC-PLNGDYQASA-N
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