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(Q82842543)
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English
7-[(1S,2R)-2-(4-Cyclohexyl-3-hydroxybut-1-en-1-yl)-3-hydroxy-5-oxocyclopentyl]hept-5-enoic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
378.24062418799997
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₄O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)CC1CCCCC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
O=C(O)CCCC=CC[C@@H]1C(=O)CC(O)[C@@H]1C=CC(O)CC1CCCCC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C22H34O5/c23-17(14-16-8-4-3-5-9-16)12-13-19-18(20(24)15-21(19)25)10-6-1-2-7-11-22(26)27/h1,6,12-13,16-19,21,23,25H,2-5,7-11,14-15H2,(H,26,27)/t17?,18-,19+,21?/m0/s1
0 references
InChIKey
WVYOVLOAXIHCDB-KYBDOYODSA-N
0 references
CAS Registry Number
53319-30-5
0 references
PubChem CID
71434125
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
67103468
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50849623
0 references
DSSTOX compound identifier
DTXCID40800364
0 references
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