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(Q105215674)
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English
5-methoxy-1,7-diphenylheptan-3-one
group of stereoisomers with the chemical formula C₂₀H₂₄O₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
296.177630008
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₂
0 references
canonical SMILES
O=C(CCC=1C=CC=CC1)CC(OC)CCC=2C=CC=CC2
0 references
found in taxon
Alpinia
1 reference
stated in
Inhibitory effect of the rhizomes of Alpinia officinarum on TPA-induced inflammation and tumor promotion in two-stage carcinogenesis in mouse skin
Identifiers
InChI
InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
0 references
InChIKey
PVYORFBABSDDNC-UHFFFAOYSA-N
0 references
CAS Registry Number
100667-54-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5319430
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PVYORFBABSDDNC-UHFFFAOYSA-N
ChEBI ID
174142
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H24O2/c1-22-20(15-13-18-10-6-3-7-11-18)16-19(21)14-12-17-8-4-2-5-9-17/h2-11,20H,12-16H2,1H3
UniChem compound ID
569886
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701296265
1 reference
matched by identifier from
InChIKey
InChIKey
PVYORFBABSDDNC-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0033293
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
PVYORFBABSDDNC-UHFFFAOYSA-N
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