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(Q104250643)
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English
Prelupulone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
428.29265976
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₇H₄₀O₄
0 references
canonical SMILES
O=C(C1=C(O)C(=C(O)C(C1=O)(CC=C(C)C)CC=C(C)C)CC=C(C)C)CCC(C)C
0 references
found in taxon
Humulus lupulus
2 references
stated in
Hop (Humulus lupulus)-derived bitter acids as multipotent bioactive compounds
stated in
Preparative separation of bitter acids from hop extracts by centrifugal partition chromatography
Identifiers
InChI
InChI=1S/C27H40O4/c1-17(2)9-11-21-24(29)23(22(28)12-10-18(3)4)26(31)27(25(21)30,15-13-19(5)6)16-14-20(7)8/h9,13-14,18,29-30H,10-12,15-16H2,1-8H3
0 references
InChIKey
MTFYJZKXBWRLJA-UHFFFAOYSA-N
0 references
PubChem CID
101705387
2 references
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTFYJZKXBWRLJA-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL25830739
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTFYJZKXBWRLJA-UHFFFAOYSA-N
SCHEMBL23155161
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTFYJZKXBWRLJA-UHFFFAOYSA-N
UniChem compound ID
96638086
1 reference
stated in
UniChem
KNApSAcK ID
C00053704
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
MTFYJZKXBWRLJA-UHFFFAOYSA-N
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