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ChEBI
> Main
CHEBI:69742 - mucusisoflavone B
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ChEBI Ontology
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ChEBI Name
mucusisoflavone B
ChEBI ID
CHEBI:69742
Definition
A hydroxyisoflavone, isoflavone dimer obtained from
Ficus mucuso
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C40H32O10
Net Charge
0
Average Mass
672.67610
Monoisotopic Mass
672.19955
InChI
InChI=1S/C40H32O10/c1-
20(2)
10-
24-
17-
40(3,50-
33-
7-
5-
22(12-
27(24)
33)
29-
19-
49-
35-
16-
26(42)
14-
32(45)
37(35)
39(29)
47)
9-
8-
23-
11-
21(4-
6-
30(23)
43)
28-
18-
48-
34-
15-
25(41)
13-
31(44)
36(34)
38(28)
46/h4-
16,18-
19,24,41-
45H,17H2,1-
3H3/b9-
8+/t24-
,40+/m1/s1
InChIKey
OPQNVODKGMOOPC-ZJVGCZFCSA-N
SMILES
CC(C)=C[C@@H]1C[C@@](C)(Oc2ccc(cc12)-c1coc2cc(O)cc(O)c2c1=O)\C=C\c1cc(ccc1O)-c1coc2cc(O)cc(O)c2c1=O
Metabolite of Species
Details
Ficus mucuso
(NCBI:txid309328)
Found in fruit
(BTO:0000486)
. Methanolic extract of air-dried and powdered figs(fruits) 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
mucusisoflavone B (
CHEBI:69742
)
has role
plant metabolite (
CHEBI:76924
)
mucusisoflavone B (
CHEBI:69742
)
is a
hydroxyisoflavone (
CHEBI:38755
)
IUPAC Name
rel
-
(2'
R
,4'
S
)-
2'-
{(
E
)-
2-
[5-
(5,7-
dihydroxy-
4-
oxo-
4
H
-
1-
benzopyran-
3-
yl)-
2-
hydroxyphenyl]ethenyl}-
5,7-
dihydroxy-
2'-
methyl-
4'-
(2-
methylprop-
1-
en-
1-
yl)-
3',4'-
dihydro-
2'
H
,4
H
-
[3,6'-
bi-
1-
benzopyran]-
4-
one
Registry Number
Type
Source
21646915
Reaxys Registry Number
Reaxys
Citation
Type
Source
21619045
PubMed citation
Europe PMC
Last Modified
24 June 2015