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(Q105302016)
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English
(E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-4-en-3-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
biogenic alkylphenol
0 references
mass
360.266445012
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₃H₃₆O₃
0 references
canonical SMILES
O=C(C=CCCCCCCCCCCC)CCC1=CC=C(O)C(OC)=C1
0 references
isomeric SMILES
CCCCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
1 reference
based on heuristic
inferred from InChI
found in taxon
Zingiber officinale
1 reference
stated in
Fresh organically grown ginger (Zingiber officinale): composition and effects on LPS-induced PGE2 production.
Identifiers
InChI
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
0 references
InChIKey
WCQFXNQALHURHS-BUHFOSPRSA-N
0 references
PubChem CID
9975813
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
230991
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-21(24)17-15-20-16-18-22(25)23(19-20)26-2/h13-14,16,18-19,25H,3-12,15,17H2,1-2H3/b14-13+
UniChem compound ID
202841
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0302124
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCQFXNQALHURHS-BUHFOSPRSA-N
KNApSAcK ID
C00035443
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCQFXNQALHURHS-BUHFOSPRSA-N
C00059006
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
WCQFXNQALHURHS-BUHFOSPRSA-N
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