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CHEBI:17529 - kievitone hydrate
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ChEBI Name
kievitone hydrate
ChEBI ID
CHEBI:17529
Definition
A hydroxyisoflavanone that is isoflavanone substituted by hydroxy groups at positions 5, 7, 2' and 4' and a 3-hydroxy-3-methylbutyl group at position 8.
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:6136, CHEBI:14494, CHEBI:24985
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Formula
C20H22O7
Net Charge
0
Average Mass
374.38450
Monoisotopic Mass
374.13655
InChI
InChI=1S/C20H22O7/c1-
20(2,26)
6-
5-
12-
15(23)
8-
16(24)
17-
18(25)
13(9-
27-
19(12)
17)
11-
4-
3-
10(21)
7-
14(11)
22/h3-
4,7-
8,13,21-
24,26H,5-
6,9H2,1-
2H3
InChIKey
QISUKJAAXYVLMA-UHFFFAOYSA-N
SMILES
CC(C)(O)CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O
ChEBI Ontology
Outgoing
kievitone hydrate (
CHEBI:17529
)
has functional parent
kievitone (
CHEBI:16832
)
kievitone hydrate (
CHEBI:17529
)
is a
hydroxyisoflavanone (
CHEBI:72739
)
kievitone hydrate (
CHEBI:17529
)
is a
tertiary alcohol (
CHEBI:26878
)
IUPAC Name
3-
(2,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
8-
(3-
hydroxy-
3-
methylbutyl)-
2,3-
dihydro-
4
H
-
chromen-
4-
one
Synonyms
Sources
Kievitone hydrate
KEGG COMPOUND
kievitone hydrate
UniProt
Manual Xrefs
Databases
C00020635
KNApSAcK
C02549
KEGG COMPOUND
CPD-34
MetaCyc
HMDB0038111
HMDB
View more database links
Registry Numbers
Types
Sources
1333051
Reaxys Registry Number
Reaxys
62682-11-5
CAS Registry Number
KEGG COMPOUND
Citation
Type
Source
1366757
PubMed citation
Europe PMC
Last Modified
01 September 2015