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(Q105006268)
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English
2-[(1R,3S,4Z)-3-acetyl-4-(carboxymethylidene)-3-methylcyclohexyl]prop-2-enoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
2-[(4Z)-3-acetyl-4-(carboxymethylidene)-3-methylcyclohexyl]prop-2-enoic acid
1 reference
based on heuristic
inferred from SMILES
mass
266.115423676
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₄H₁₈O₅
0 references
canonical SMILES
O=C(O)C=C1CCC(C(=C)C(=O)O)CC1(C(=O)C)C
0 references
isomeric SMILES
C=C(C(=O)O)[C@@H]1CC/C(=C/C(=O)O)[C@@](C)(C(C)=O)C1
0 references
found in taxon
Haeckeria pholidota
2 references
stated in
Eremophilane derivatives and other constituents from Haeckeria species and further Australian inuleae
stated in
Kaurane succinates and prenylated aromatics from Odixia angusta and Ozothamnus obcordatus
Identifiers
InChI
InChI=1S/C14H18O5/c1-8(13(18)19)10-4-5-11(6-12(16)17)14(3,7-10)9(2)15/h6,10H,1,4-5,7H2,2-3H3,(H,16,17)(H,18,19)/b11-6-/t10-,14-/m1/s1
0 references
InChIKey
GCFUBIUESOFTEI-PHLAARDNSA-N
0 references
PubChem CID
163096474
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
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