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(Q76386585)
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English
(2E,4E,6E,8E)-9-(2-acetyl-5,5-dimethylcyclopenten-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
314.18819469199997
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₂₀H₂₆O₃
0 references
canonical SMILES
CC(=O)C1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CC1
1 reference
based on heuristic
inferred from InChI
isomeric SMILES
C/C(=C\C=C\C(=C\C(=O)O)\C)/C=C/C1=C(CCC1(C)C)C(=O)C
0 references
Identifiers
InChI
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
0 references
InChIKey
FSLMGODKGHHERM-FRCNGJHJSA-N
0 references
PubChem CID
6438146
1 reference
matched by identifier from
InChIKey
InChIKey
FSLMGODKGHHERM-FRCNGJHJSA-N
ChEBI ID
185854
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H26O3/c1-14(7-6-8-15(2)13-19(22)23)9-10-18-17(16(3)21)11-12-20(18,4)5/h6-10,13H,11-12H2,1-5H3,(H,22,23)/b8-6+,10-9+,14-7+,15-13+
UniChem compound ID
576420
1 reference
stated in
UniChem
LIPID MAPS ID
LMPR01090027
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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