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(Q63398175)
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English
10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decanal
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
336.1936739959999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₉H₂₈O₅
0 references
canonical SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC=O
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Identifiers
InChI
InChI=1S/C19H28O5/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h13H,4-12H2,1-3H3
0 references
InChIKey
NWTCBWDIPOKYAO-UHFFFAOYSA-N
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CAS Registry Number
89048-27-1
0 references
PubChem CID
13518555
1 reference
matched by identifier from
InChIKey
InChIKey
NWTCBWDIPOKYAO-UHFFFAOYSA-N
UniChem compound ID
27080656
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP010039
0 references
DSSTox substance ID
DTXSID50542788
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
NWTCBWDIPOKYAO-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00493574
0 references
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