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(Q82187475)
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English
CTK3E6425
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
334.21440943999994
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
15-deoxy-Δ12,14-PGD2
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC=CC=C1C(=O)CC(O)C1CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCC=CC=C1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H30O4/c1-2-3-4-5-6-9-12-16-17(19(22)15-18(16)21)13-10-7-8-11-14-20(23)24/h6-7,9-10,12,17,19,22H,2-5,8,11,13-15H2,1H3,(H,23,24)/t17-,19-/m1/s1
0 references
InChIKey
QUGBPWLPAUHDTI-IEBWSBKVSA-N
0 references
CAS Registry Number
85235-11-6
0 references
PubChem CID
121232839
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
QUGBPWLPAUHDTI-IEBWSBKVSA-N
UniChem compound ID
147697674
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90390588
1 reference
matched by identifier from
InChIKey
InChIKey
QUGBPWLPAUHDTI-IEBWSBKVSA-N
DSSTOX compound identifier
DTXCID40341449
0 references
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