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(Q82749175)
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English
(6R,7R)-Tetradeca-4,12-diene-8,10-diyne-1,6,7-triol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
234.125594436
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(4E,6S,7R,12E)-tetradeca-4,12-dien-8,10-diyne-1,6,7-triol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₄H₁₈O₃
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC=CC#CC#CC(O)C(O)C=CCCCO
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC=CC#CC#C[C@@H](O)[C@H](O)C=CCCCO
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C14H18O3/c1-2-3-4-5-7-10-13(16)14(17)11-8-6-9-12-15/h2-3,8,11,13-17H,6,9,12H2,1H3/t13-,14-/m1/s1
0 references
InChIKey
RKOQCMNXJZJWBU-ZIAGYGMSSA-N
0 references
CAS Registry Number
39649-97-3
0 references
PubChem CID
71360377
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
RKOQCMNXJZJWBU-ZIAGYGMSSA-N
UniChem compound ID
47934777
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60784172
1 reference
matched by identifier from
InChIKey
InChIKey
RKOQCMNXJZJWBU-ZIAGYGMSSA-N
DSSTOX compound identifier
DTXCID60734915
0 references
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