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(Q105161783)
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English
(10E)-9,12,13-trihydroxyoctadec-10-enoic acid
group of stereoisomers with the chemical formula C₁₈H₃₄O₅
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Statements
instance of
group of stereoisomers
0 references
subclass of
fatty alcohol
1 reference
inferred from
fatty alcohol
fatty acid
1 reference
inferred from
fatty acid
mass
330.240624188
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₄O₅
0 references
canonical SMILES
O=C(O)CCCCCCCC(O)C=CC(O)C(O)CCCCC
0 references
isomeric SMILES
CCCCCC(O)C(O)/C=C/C(O)CCCCCCCC(=O)O
1 reference
based on heuristic
inferred from InChI
found in taxon
Phyteuma orbiculare
1 reference
stated in
Comprehensive analysis of Phyteuma orbiculare L., a wild Alpine food plant
Caroxylon tetrandrum
1 reference
stated in
Phytochemical Constituents from Salsola tetrandra
Identifiers
InChI
InChI=1S/C18H34O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h13-17,19-21H,2-12H2,1H3,(H,22,23)/b14-13+
0 references
InChIKey
MDIUMSLCYIJBQC-BUHFOSPRSA-N
0 references
CAS Registry Number
29907-56-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5282966
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDIUMSLCYIJBQC-BUHFOSPRSA-N
UniChem compound ID
536026
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0038555
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MDIUMSLCYIJBQC-BUHFOSPRSA-N
LIPID MAPS ID
LMFA02000169
1 reference
InChIKey
MDIUMSLCYIJBQC-BUHFOSPRSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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