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ChEBI
> Main
CHEBI:76196 -
trans
-diptoindonesin B
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ChEBI Name
trans
-diptoindonesin B
ChEBI ID
CHEBI:76196
ChEBI ASCII Name
trans-diptoindonesin B
Definition
A benzofuran-derived stilbenoid that is a homotrimer obtained by cyclotrimerisation of resveratrol. It is isolated from
Dryobalanops oblongifolia
.
Stars
This entity has been manually annotated by the ChEBI Team.
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Read full article at Wikipedia
Formula
C42H32O9
Net Charge
0
Average Mass
680.69810
Monoisotopic Mass
680.20463
InChI
InChI=1S/C42H32O9/c43-
27-
8-
4-
24(5-
9-
27)
41-
38(26-
16-
31(47)
19-
32(48)
17-
26)
40-
35(20-
33(49)
21-
37(40)
51-
41)
39-
34-
15-
22(1-
2-
23-
13-
29(45)
18-
30(46)
14-
23)
3-
12-
36(34)
50-
42(39)
25-
6-
10-
28(44)
11-
7-
25/h1-
21,38-
39,41-
49H/b2-
1+/t38-
,39+,41+,42+/m0/s1
InChIKey
BDJSWDYSJPVUJA-DVYDPXLZSA-N
SMILES
Oc1ccc(cc1)
[C@H]
1Oc2cc(O)
cc([C@@H]
3[C@H]
(Oc4ccc(\C=C\c5cc(O)
cc(O)
c5)
cc34)
c3ccc(O)
cc3)
c2[C@@H]
1c1cc(O)
cc(O)
c1
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
trans
-diptoindonesin B (
CHEBI:76196
)
has functional parent
trans
-resveratrol (
CHEBI:45713
)
trans
-diptoindonesin B (
CHEBI:76196
)
has role
plant metabolite (
CHEBI:76924
)
trans
-diptoindonesin B (
CHEBI:76196
)
is a
1-benzofurans (
CHEBI:38830
)
trans
-diptoindonesin B (
CHEBI:76196
)
is a
polyphenol (
CHEBI:26195
)
trans
-diptoindonesin B (
CHEBI:76196
)
is a
stilbenoid (
CHEBI:26776
)
IUPAC Name
5-
[(2
S
,2'
S
,3
S
,3'
S
)-
5-
[(
E
)-
2-
(3,5-
dihydroxyphenyl)ethenyl]-
6'-
hydroxy-
2,2'-
bis(4-
hydroxyphenyl)-
2,2',3,3'-
tetrahydro-
3,4'-
bi-
1-
benzofuran-
3'-
yl]benzene-
1,3-
diol
Manual Xref
Database
Trans-Diptoindonesin_B
Wikipedia
View more database links
Citation
Type
Source
12895539
PubMed citation
Europe PMC
Last Modified
19 February 2014