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(Q82926070)
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English
3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
362.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₅
0 references
canonical SMILES
O=C(C=1C(=O)C(CC=C(C)C)C(O)(C(=O)CC=C(C)C)C1O)C(C)CC
0 references
found in taxon
Humulus lupulus
2 references
stated in
NMR assignment of iso-α-acids from isomerised extracts ofHumulus lupulus L. cones
stated in
Chemical Characterization of Beer Aging Products Derived from Hard Resin Components in Hops (Humulus lupulus L.).
Identifiers
InChI
InChI=1S/C21H30O5/c1-7-14(6)18(23)17-19(24)15(10-8-12(2)3)21(26,20(17)25)16(22)11-9-13(4)5/h8-9,14-15,25-26H,7,10-11H2,1-6H3
0 references
InChIKey
QHRQNLXYMFCGPB-UHFFFAOYSA-N
0 references
CAS Registry Number
25422-83-7
1 reference
InChIKey
QHRQNLXYMFCGPB-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=25422-83-7
PubChem CID
117231
2 references
stated in
PubChem
retrieved
2 January 2023
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
QHRQNLXYMFCGPB-UHFFFAOYSA-N
UniChem compound ID
67600110
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90948280
1 reference
matched by identifier from
InChIKey
InChIKey
QHRQNLXYMFCGPB-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID801376515
0 references
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