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DILLAPIONAL
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
236.068473484
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₂H₁₂O₅
0 references
canonical SMILES
O=CC=CC1=CC=2OCOC2C(OC)=C1OC
0 references
isomeric SMILES
COC1=C(C2=C(C=C1/C=C/C=O)OCO2)OC
0 references
found in taxon
Foeniculum vulgare
1 reference
stated in
Antimicrobial constituents of Foeniculum vulgare
Piper hispidum
1 reference
stated in
New prenylated benzoic acid derivatives of Piper hispidum.
Identifiers
InChI
InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3+
0 references
InChIKey
UQBPCDWQJZVCPU-ONEGZZNKSA-N
0 references
CAS Registry Number
38971-74-3
1 reference
InChIKey
UQBPCDWQJZVCPU-ONEGZZNKSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=38971-74-3
PubChem CID
5458880
0 references
ChEBI ID
172477
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C12H12O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h3-6H,7H2,1-2H3/b4-3+
SureChEMBL ID
SCHEMBL7191379
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UQBPCDWQJZVCPU-ONEGZZNKSA-N
SCHEMBL7191381
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UQBPCDWQJZVCPU-ONEGZZNKSA-N
UniChem compound ID
17875526
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50420032
0 references
DSSTOX compound identifier
DTXCID80370879
0 references
NSC number
369504
0 references
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