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(Q104919446)
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English
(7S,8aR)-7-methyl-3-methylidene-6-(3-oxobutyl)-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one
group of stereoisomers with the chemical formula C₁₅H₂₀O₃
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Statements
instance of
group of stereoisomers
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subclass of
xanthane sesquiterpenoid
1 reference
inferred from
xanthane sesquiterpenoid
mass
248.1412445
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₅H₂₀O₃
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canonical SMILES
O=C1OC2CC(C(=CCC2C1=C)CCC(=O)C)C
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isomeric SMILES
C=C1C(=O)O[C@@H]2C[C@H](C)C(CCC(C)=O)=CCC12
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Identifiers
InChI
InChI=1S/C15H20O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h6,9,13-14H,3-5,7-8H2,1-2H3/t9-,13?,14+/m0/s1
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InChIKey
AVFIYMSJDDGDBQ-KJXYMRNQSA-N
0 references
PubChem CID
162903758
1 reference
based on heuristic
inferred from InChIKey
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