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(Q104968222)
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English
12,13-dihydroxyoctadec-9-enoic acid
group of stereoisomers with the chemical formula C₁₈H₃₄O₄
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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
314.4609
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₈H₃₄O₄
0 references
canonical SMILES
O=C(O)CCCCCCCC=CCC(O)C(O)CCCCC
0 references
Identifiers
InChI
InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)
0 references
InChIKey
CQSLTKIXAJTQGA-UHFFFAOYSA-N
0 references
PubChem CID
53394649
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
CQSLTKIXAJTQGA-UHFFFAOYSA-N
ChEBI ID
167825
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H34O4/c1-2-3-10-13-16(19)17(20)14-11-8-6-4-5-7-9-12-15-18(21)22/h8,11,16-17,19-20H,2-7,9-10,12-15H2,1H3,(H,21,22)
UniChem compound ID
26775401
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-RIKEN-PR309105
1 reference
InChIKey
CQSLTKIXAJTQGA-UHFFFAOYSA-N
stated in
MassBank/MassBank-data: release version 2022.06 to wikidata
retrieved
4 September 2022
based on heuristic
InChIKey match
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