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English
PGB3;Prostaglandin B3
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
332.19875937599994
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
Prostaglandin B3
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₂₀H₂₈O₄
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC(O)C=CC1=C(CC=CCCCC(=O)O)C(=O)CC1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCC=CC[C@H](O)C=CC1=C(CC=CCCCC(=O)O)C(=O)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C20H28O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h3-4,6-7,12,14,17,21H,2,5,8-11,13,15H2,1H3,(H,23,24)/t17-/m0/s1
0 references
InChIKey
DQRGQQAJYRBDRP-KRWDZBQOSA-N
0 references
CAS Registry Number
36614-32-1
0 references
PubChem CID
3246855
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
68887895
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20390596
0 references
DSSTOX compound identifier
DTXCID70341457
0 references
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