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(Q105129620)
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English
(1R)-2beta-Methyl-5-methoxy-7-oxo-3,5-cyclooctadiene-1beta-carboxylic acid methyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
Methyl 5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
methyl (3Z,5E)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate
1 reference
based on heuristic
inferred from SMILES
mass
224.104858992
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(1S)-2alpha-Methyl-5-methoxy-7-oxo-3,5-cyclooctadiene-1alpha-carboxylic acid methyl ester
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
methyl (1R,2S)-5-methoxy-2-methyl-7-oxocycloocta-3,5-diene-1-carboxylate
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₆O₄
0 references
canonical SMILES
O=C(OC)C1CC(=O)C=C(OC)C=CC1C
0 references
isomeric SMILES
COC(=O)[C@@H]1CC(=O)/C=C(OC)\C=C/[C@@H]1C
0 references
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+/t8-,11+/m0/s1
0 references
InChIKey
JJFGPKSBGIFXSO-KNJNZIGSSA-N
0 references
PubChem CID
10944093
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
JJFGPKSBGIFXSO-KNJNZIGSSA-N
UniChem compound ID
33943363
1 reference
stated in
UniChem
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