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(Q74411445)
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deoxyhumulone
chemical compound
In more languages
default for all languages
No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
olefinic compound
0 references
aromatic ketone
0 references
trihydroxybenzene
0 references
mass
346.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₁H₃₀O₄
0 references
canonical SMILES
O=C(C=1C(O)=C(C(O)=C(C1O)CC=C(C)C)CC=C(C)C)CC(C)C
0 references
found in taxon
Humulus lupulus
1 reference
stated in
In-vitro prenylation of aromatic intermediates in the biosynthesis of bitter acids in humulus lupulus
Identifiers
InChI
InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3
0 references
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
2 references
stated in
ChEBI release 2019-11-01
stated in
ChEBI release 2020-09-01
CAS Registry Number
4374-93-0
1 reference
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=4374-93-0
PubChem CID
6450808
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
Reaxys registry number
2061212
1 reference
stated in
ChEBI release 2019-11-01
ChEBI ID
134345
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3
UniChem compound ID
25528251
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20195922
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID60118413
0 references
Human Metabolome Database ID
HMDB0036624
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
KNApSAcK ID
C00055162
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
UNII
2G8GOM6DZY
1 reference
matched by identifier from
InChIKey
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
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