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(Q76507171)
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English
9S,10S,11R-trihydroxy-12Z,15Z-octadecadienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
9,10,11-trihydroxyoctadeca-12,15-dienoic acid
1 reference
based on heuristic
inferred from SMILES
mass
328.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(9R,10S,11S,12Z,15Z)-9,10,11-trihydroxyoctadeca-12,15-dienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(9S,10R,11R,12Z,15Z)-9,10,11-Trihydroxy-12,15-octadecadienoic acid
1 reference
based on heuristic
inferred from InChI
(9R,10R,11S)-9,10,11-trihydroxyoctadeca-12,15-dienoic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₂O₅
0 references
canonical SMILES
O=C(O)CCCCCCCC(O)C(O)C(O)C=CCC=CCC
0 references
isomeric SMILES
CC/C=C\C/C=C\[C@H]([C@H]([C@H](CCCCCCCC(=O)O)O)O)O
0 references
found in taxon
Capsicum annuum
1 reference
stated in
New Constituents of SweetCapsicum annuumL. Fruits and Evaluation of Their Biological Activity
Identifiers
InChI
InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1
0 references
InChIKey
KFINXCASWPGHEW-YQFBSDGMSA-N
0 references
PubChem CID
16061055
1 reference
matched by identifier from
InChIKey
InChIKey
KFINXCASWPGHEW-YQFBSDGMSA-N
ChEBI ID
183609
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H32O5/c1-2-3-4-6-9-12-15(19)18(23)16(20)13-10-7-5-8-11-14-17(21)22/h3-4,9,12,15-16,18-20,23H,2,5-8,10-11,13-14H2,1H3,(H,21,22)/b4-3-,12-9-/t15-,16+,18-/m1/s1
UniChem compound ID
53080137
1 reference
stated in
UniChem
LIPID MAPS ID
LMFA02000021
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
30 June 2018
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