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(Q105129624)
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English
methyl (3Z,5E)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate
group of stereoisomers with the chemical formula C₁₂H₁₆O₄
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₆O₄
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canonical SMILES
O=C(OC)C1CC(=O)C=C(OC)C=CC1C
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isomeric SMILES
COC(=O)C1CC(=O)/C=C(OC)\C=C/C1C
1 reference
based on heuristic
inferred from InChI
found in taxon
Philadelphia fleabane
1 reference
stated in
Two New Cyclopentenone Derivatives and a New Cyclooctadienone Derivative from Erigeron annuus (L.) Pers., Erigeron philadelphicus L., and Erigeron sumatrensis Retz.
Identifiers
InChI
InChI=1S/C12H16O4/c1-8-4-5-10(15-2)6-9(13)7-11(8)12(14)16-3/h4-6,8,11H,7H2,1-3H3/b5-4-,10-6+
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InChIKey
JJFGPKSBGIFXSO-VWJYOPCBSA-N
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