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(Q72465393)
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Dihydrojasmonic acid
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
chemical formula
C₁₂H₂₀O₃
0 references
canonical SMILES
CCCCCC1C(=O)CCC1CC(=O)O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)
0 references
InChIKey
PQEYTAGBXNEUQL-UHFFFAOYSA-N
1 reference
based on heuristic
inferred from InChI
CAS Registry Number
76968-33-7
0 references
ChEBI ID
177664
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H20O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h9-10H,2-8H2,1H3,(H,14,15)
SureChEMBL ID
SCHEMBL216000
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PQEYTAGBXNEUQL-UHFFFAOYSA-N
DSSTox substance ID
DTXSID30883989
1 reference
matched by identifier from
InChIKey
InChIKey
PQEYTAGBXNEUQL-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0033601
1 reference
matched by identifier from
InChIKey
InChIKey
PQEYTAGBXNEUQL-UHFFFAOYSA-N
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