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(Q105344218)
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English
7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one
group of stereoisomers with the chemical formula C₂₀H₂₄O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
mass
312.172544628
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₀H₂₄O₃
0 references
canonical SMILES
O=C(CCC=1C=CC=CC1)CC(OC)CCC2=CC=C(O)C=C2
0 references
found in taxon
Alpinia officinarum
1 reference
stated in
Three new antibacterial active diarylheptanoids from Alpinia officinarum
Identifiers
InChI
InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3
0 references
InChIKey
XXVCRBHITJEJAY-UHFFFAOYSA-N
0 references
CAS Registry Number
100667-53-6
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
5319455
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXVCRBHITJEJAY-UHFFFAOYSA-N
ChEBI ID
175000
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3
UniChem compound ID
31999171
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID701227642
1 reference
matched by identifier from
InChIKey
InChIKey
XXVCRBHITJEJAY-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0033294
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXVCRBHITJEJAY-UHFFFAOYSA-N
KNApSAcK ID
C00056320
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXVCRBHITJEJAY-UHFFFAOYSA-N
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