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(Q82842413)
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English
5-[(2R,3S)-3,5-Dihydroxy-2-(3-hydroxyoct-1-en-1-yl)cyclopentyl]pent-3-enoic acid
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
326.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₀O₅
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCC(=O)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CCCCCC(O)C=C[C@@H]1C(CC=CCC(=O)O)C(O)C[C@@H]1O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C18H30O5/c1-2-3-4-7-13(19)10-11-15-14(16(20)12-17(15)21)8-5-6-9-18(22)23/h5-6,10-11,13-17,19-21H,2-4,7-9,12H2,1H3,(H,22,23)/t13?,14?,15-,16?,17+/m1/s1
0 references
InChIKey
IDKLJIUIJUVJNR-CQMDXDKXSA-N
0 references
CAS Registry Number
240405-20-3
0 references
PubChem CID
71433682
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
49065864
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10849523
0 references
DSSTOX compound identifier
DTXCID00800264
0 references
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