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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:134345 - deoxyhumulone
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ChEBI Ontology
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ChEBI Name
deoxyhumulone
ChEBI ID
CHEBI:134345
Definition
A 2-acyl-4,6-diprenylphloroglucinol in which the acyl group is specified as 3-methylbutanoyl.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C21H30O4
Net Charge
0
Average Mass
346.461
Monoisotopic Mass
346.21441
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
InChIKey
NQYBQBZOHCACCR-UHFFFAOYSA-N
SMILES
C1(O)=C(CC=C(C)C)C(=C(C(O)=C1CC=C(C)C)C(=O)CC(C)C)O
Metabolite of Species
Details
Humulus lupulus
(NCBI:txid3486)
See:
PubMed
Roles Classification
Biological Role
(s):
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
deoxyhumulone (
CHEBI:134345
)
has role
plant metabolite (
CHEBI:76924
)
deoxyhumulone (
CHEBI:134345
)
is a
2-acyl-4,6-diprenylphloroglucinol (
CHEBI:136850
)
Synonyms
Sources
3,5-Bis(3-methyl-2-butenyl)phlorisovalerophenone
HMDB
3,5-diprenylphlorisovalerophenone
ChEBI
4-Deoxy-humulone
HMDB
4-Deoxyhumulone
ChemIDplus
deoxyhumulone
UniProt
diprenylphlorisovalerophenone
MetaCyc
Manual Xrefs
Databases
CPD-7105
MetaCyc
HMDB0036624
HMDB
View more database links
Registry Numbers
Types
Sources
2061212
Reaxys Registry Number
Reaxys
4374-93-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
25564559
PubMed citation
SUBMITTER
Last Modified
18 April 2017