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(Q82412852)
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English
5-Hydroxy-1,7-bis(4-hydroxyphenyl)heptan-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
314.151809184
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₉H₂₂O₄
0 references
canonical SMILES
O=C(CCC1=CC=C(O)C=C1)CC(O)CCC2=CC=C(O)C=C2
0 references
found in taxon
Alnus japonica
1 reference
stated in
Six novel secodammarane-type triterpenes from male Flowers of Alnus japonica
Identifiers
InChI
InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2
0 references
InChIKey
ZBFSUZGUYFFWGY-UHFFFAOYSA-N
0 references
CAS Registry Number
57089-26-6
0 references
PubChem CID
13347312
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
ZBFSUZGUYFFWGY-UHFFFAOYSA-N
ChEBI ID
182210
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C19H22O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-4,7-10,18,20-22H,5-6,11-13H2
UniChem compound ID
24078597
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90537754
1 reference
matched by identifier from
InChIKey
InChIKey
ZBFSUZGUYFFWGY-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID00488541
0 references
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