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(Q105276054)
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English
5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
group of stereoisomers with the chemical formula C₁₉H₂₂O₃
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Statements
instance of
group of stereoisomers
0 references
subclass of
biogenic alkylphenol
1 reference
inferred from
biogenic alkylphenol
mass
298.156894564
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₃
0 references
canonical SMILES
O=C(CCC=1C=CC=CC1)CC(O)CCC2=CC=C(O)C=C2
0 references
found in taxon
Alpinia officinarum
1 reference
stated in
Separation and identification of diarylheptanoids in supercritical fluid extract of Alpinia officinarum by UPLC-MS-MS
Identifiers
InChI
InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
0 references
InChIKey
UNMNJFPAJOHXMT-UHFFFAOYSA-N
0 references
CAS Registry Number
83161-96-0
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
10040339
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
174841
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
UniChem compound ID
468884
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID301228412
1 reference
matched by identifier from
InChIKey
InChIKey
UNMNJFPAJOHXMT-UHFFFAOYSA-N
Human Metabolome Database ID
HMDB0033711
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UNMNJFPAJOHXMT-UHFFFAOYSA-N
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