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(Q105202787)
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English
3-Methyl-2-butenoic acid (2E,8E)-2,8-decadiene-4,6-diynyl ester
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic acyclic ester
0 references
mass
228.115029752
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₅H₁₆O₂
0 references
canonical SMILES
O=C(OCC=CC#CC#CC=CC)C=C(C)C
0 references
isomeric SMILES
C/C=C/C#CC#C/C=C/COC(=O)C=C(C)C
1 reference
based on heuristic
inferred from InChI
found in taxon
Grindelia hirsutula
2 references
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
Grindelia stricta
2 references
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
stated in
Diterpenes related to grindelic acid and further constituents from Grindelia species
Identifiers
InChI
InChI=1S/C15H16O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h4-5,10-11,13H,12H2,1-3H3/b5-4+,11-10+
0 references
InChIKey
OXMXWBHUENSAIH-PMXBNEBOSA-N
0 references
PubChem CID
102504546
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
OXMXWBHUENSAIH-PMXBNEBOSA-N
UniChem compound ID
96557431
1 reference
stated in
UniChem
KNApSAcK ID
C00022616
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
OXMXWBHUENSAIH-PMXBNEBOSA-N
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