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(Q105337720)
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English
(8E,10S)-heptadec-8-en-4,6-diyne-1,10-diol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
heptadec-8-en-4,6-diyne-1,10-diol
1 reference
based on heuristic
inferred from SMILES
mass
262.193280072
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(10S)-Heptadec-8-ene-4,6-diyne-1,10-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(8E,10R)-heptadec-8-en-4,6-diyne-1,10-diol
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
chemical formula
C₁₇H₂₆O₂
0 references
canonical SMILES
OCCCC#CC#CC=CC(O)CCCCCCC
0 references
isomeric SMILES
CCCCCCC[C@H](O)/C=C/C#CC#CCCCO
0 references
found in taxon
Cicuta virosa
3 references
stated in
Absolute stereochemistry of cicutoxin and related toxic polyacetylenic alcohols from Cicuta virosa
stated in
Exploring the structural basis of neurotoxicity in C(17)-polyacetylenes isolated from water hemlock
stated in
Absolute stereochemistry of cicutoxin and related toxic polyacetylenic alcohols from Cicuta virosa
Identifiers
InChI
InChI=1S/C17H26O2/c1-2-3-4-8-11-14-17(19)15-12-9-6-5-7-10-13-16-18/h12,15,17-19H,2-4,8,10-11,13-14,16H2,1H3/b15-12+/t17-/m0/s1
0 references
InChIKey
XOENZUAFVYYLIG-VMEIHUARSA-N
0 references
PubChem CID
11108150
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOENZUAFVYYLIG-VMEIHUARSA-N
UniChem compound ID
376507
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA05000749
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
15 January 2022
InChIKey
XOENZUAFVYYLIG-VMEIHUARSA-N
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