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ChEBI
> Main
CHEBI:6147 - kuwanone H
Main
ChEBI Ontology
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ChEBI Name
kuwanone H
ChEBI ID
CHEBI:6147
Definition
A tetrahydroxyflavone isolated from the plant species of the genus
Morus
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C45H44O11
Net Charge
0
Average Mass
760.82430
Monoisotopic Mass
760.28836
InChI
InChI=1S/C45H44O11/c1-
21(2)
6-
10-
27-
33(48)
15-
14-
29(41(27)
53)
42(54)
38-
31(26-
12-
8-
24(46)
18-
34(26)
49)
16-
23(5)
17-
32(38)
39-
36(51)
20-
37(52)
40-
43(55)
30(11-
7-
22(3)
4)
44(56-
45(39)
40)
28-
13-
9-
25(47)
19-
35(28)
50/h6-
9,12-
15,17-
20,31-
32,38,46-
53H,10-
11,16H2,1-
5H3/t31-
,32-
,38-
/m0/s1
InChIKey
DKBPTKFKCCNXNH-QXGWMLRCSA-N
SMILES
CC(C)
=CCc1c(O)
ccc(C(=O)
[C@H]
2[C@@H]
(CC(C)
=C[C@@H]
2c2c(O)
cc(O)
c3c2oc(c(CC=C(C)
C)
c3=O)
-
c2ccc(O)
cc2O)
c2ccc(O)
cc2O)
c1O
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
kuwanone H (
CHEBI:6147
)
has role
plant metabolite (
CHEBI:76924
)
kuwanone H (
CHEBI:6147
)
is a
resorcinols (
CHEBI:33572
)
kuwanone H (
CHEBI:6147
)
is a
tetrahydroxyflavone (
CHEBI:38684
)
IUPAC Name
8-
{(1
R
,2
S
,3
S
)-
2-
[2,4-
dihydroxy-
3-
(3-
methylbut-
2-
en-
1-
yl)benzoyl]-
2',4'-
dihydroxy-
5-
methyl[1,2,3,6-
tetrahydro[1,1'-
biphenyl]]-
3-
yl}-
2-
(2,4-
dihydroxyphenyl)-
5,7-
dihydroxy-
3-
(3-
methylbut-
2-
en-
1-
yl)-
4
H
-
1-
benzopyran-
4-
one
Synonym
Source
Kuwanone H
KEGG COMPOUND
Manual Xrefs
Databases
C00001064
KNApSAcK
C10100
KEGG COMPOUND
HMDB0030075
HMDB
View more database links
Registry Numbers
Types
Sources
4640803
Reaxys Registry Number
Reaxys
76472-87-2
CAS Registry Number
KEGG COMPOUND
76472-87-2
CAS Registry Number
ChemIDplus
Last Modified
16 March 2015