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(Q113955678)
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English
9S,12S,13S-trihydroxy-10E,15Z-octadecadienoic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
328.224974124
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
9R,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
9R,12S,13S-Trihydroxy-10E,15Z-octadecadienoic acid
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(9S,12R,13S)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid
1 reference
based on heuristic
inferred from InChI
Fulgidic acid
1 reference
based on heuristic
inferred from InChI
Malyngic acid
1 reference
based on heuristic
inferred from InChI
Fulgidic acid
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₈H₃₂O₅
0 references
canonical SMILES
O=C(O)CCCCCCCC(O)C=CC(O)C(O)CC=CCC
0 references
isomeric SMILES
CC/C=C\C[C@H](O)[C@@H](O)/C=C/[C@@H](O)CCCCCCCC(=O)O
0 references
found in taxon
Pluchea indica
1 reference
stated in
Bioactive Constituents from the Aerial Parts of Pluchea indica Less
Identifiers
InChI
InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17-/m0/s1
0 references
InChIKey
MKYUCBXUUSZMQB-SZTSADAQSA-N
0 references
PubChem CID
10936354
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MKYUCBXUUSZMQB-SZTSADAQSA-N
ChEBI ID
185202
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C18H32O5/c1-2-3-7-11-16(20)17(21)14-13-15(19)10-8-5-4-6-9-12-18(22)23/h3,7,13-17,19-21H,2,4-6,8-12H2,1H3,(H,22,23)/b7-3-,14-13+/t15-,16-,17-/m0/s1
UniChem compound ID
33202343
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID601164588
1 reference
matched by identifier from
InChIKey
InChIKey
MKYUCBXUUSZMQB-SZTSADAQSA-N
LIPID MAPS ID
LMFA02000022
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
31 December 2022
InChIKey
MKYUCBXUUSZMQB-SZTSADAQSA-N
based on heuristic
InChIKey match
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