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(Q74411119)
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English
(+)-7-isojasmonate
anion
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Statements
instance of
type of chemical entity
0 references
subclass of
organic anion
0 references
mass
209.11831798391
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
jasmonate(1-)
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₇O₃⁻
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC=CCC1C(=O)CCC1CC(=O)[O-]
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC/C=C\C[C@H]1[C@H](CCC1=O)CC(=O)[O-]
0 references
Identifiers
InChI
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10+/m1/s1
0 references
InChIKey
ZNJFBWYDHIGLCU-QKMQQOOLSA-M
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
PubChem CID
7251182
1 reference
matched by identifier from
InChIKey
InChIKey
ZNJFBWYDHIGLCU-QKMQQOOLSA-M
ChEBI ID
136179
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/p-1/b4-3-/t9-,10+/m1/s1
UniChem compound ID
14887987
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID801344180
1 reference
matched by identifier from
InChIKey
InChIKey
ZNJFBWYDHIGLCU-QKMQQOOLSA-M
SwissLipids ID
SLM:000597953
1 reference
matched by identifier from
InChIKey
InChIKey
ZNJFBWYDHIGLCU-QKMQQOOLSA-M
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