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(Q82224729)
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English
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
342.1831093119999
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₄
0 references
canonical SMILES
O=C(CCC=1C=CC=CC1)CC(OC)CCC2=CC=C(O)C(OC)=C2
0 references
Identifiers
InChI
InChI=1S/C21H26O4/c1-24-19(12-9-17-10-13-20(23)21(14-17)25-2)15-18(22)11-8-16-6-4-3-5-7-16/h3-7,10,13-14,19,23H,8-9,11-12,15H2,1-2H3
0 references
InChIKey
XYIISUAVSYEQLI-UHFFFAOYSA-N
0 references
CAS Registry Number
83161-95-9
1 reference
InChIKey
XYIISUAVSYEQLI-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=83161-95-9
PubChem CID
5319454
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XYIISUAVSYEQLI-UHFFFAOYSA-N
UniChem compound ID
23204088
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00415751
1 reference
matched by identifier from
InChIKey
InChIKey
XYIISUAVSYEQLI-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID70366600
0 references
Human Metabolome Database ID
HMDB0029525
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XYIISUAVSYEQLI-UHFFFAOYSA-N
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