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(Q83041507)
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English
1-Propanone, 1-(3,4-dimethoxyphenyl)-
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
194.094294308
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄O₃
0 references
canonical SMILES
CCC(=O)C1=CC(=C(C=C1)OC)OC
0 references
found in taxon
Pteronia camphorata
1 reference
stated in
Diterpenes and other constituents from Pteronia species
Virola surinamensis
1 reference
stated in
Lignans, γ-lactones and propiophenones of Virola surinamensis
Identifiers
InChI
InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3
0 references
InChIKey
SBMSBQOMJGZBRY-UHFFFAOYSA-N
0 references
CAS Registry Number
1835-04-7
1 reference
InChIKey
SBMSBQOMJGZBRY-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1835-04-7
PubChem CID
15781
1 reference
matched by identifier from
InChIKey
InChIKey
SBMSBQOMJGZBRY-UHFFFAOYSA-N
ChEBI ID
167438
mapping relation type
exact match
2 references
stated in
ChEBI release 2021-03-01
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C11H14O3/c1-4-9(12)8-5-6-10(13-2)11(7-8)14-3/h5-7H,4H2,1-3H3
UniChem compound ID
220632
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60171427
1 reference
matched by identifier from
InChIKey
InChIKey
SBMSBQOMJGZBRY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID6093918
0 references
NSC number
16954
0 references
KNApSAcK ID
C00022591
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
SBMSBQOMJGZBRY-UHFFFAOYSA-N
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