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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:136610 - Theasinensin B
Main
ChEBI Ontology
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ChEBI Name
Theasinensin B
ChEBI ID
CHEBI:136610
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C37H30O18
Net Charge
0
Average Mass
762.625
Monoisotopic Mass
762.14321
InChI
InChI=1S/C37H30O18/c38-
12-
3-
18(40)
14-
7-
24(46)
35(53-
25(14)
5-
12)
16-
8-
22(44)
31(48)
33(50)
28(16)
29-
17(9-
23(45)
32(49)
34(29)
51)
36-
27(10-
15-
19(41)
4-
13(39)
6-
26(15)
54-
36)
55-
37(52)
11-
1-
20(42)
30(47)
21(43)
2-
11/h1-
6,8-
9,24,27,35-
36,38-
51H,7,10H2/t24-
,27-
,35-
,36-
/m1/s1
InChIKey
CTVAVEOYQKVFFY-DUSGSIEYSA-N
SMILES
O1[C@@]
([C@H]
(OC(=O)
C2=CC(O)
=C(O)
C(O)
=C2)
CC=3C1=CC(O)
=CC3O)
(C=4C(C=5C([C@]
6(OC=7C(C[C@H]
6O)
=C(O)
C=C(O)
C7)
[H]
)
=CC(O)
=C(O)
C5O)
=C(O)
C(O)
=C(O)
C4)
[H]
Roles Classification
Application
(s):
astringent
A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
(via
tannin
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Theasinensin B (
CHEBI:136610
)
is a
tannin (
CHEBI:26848
)
IUPAC Name
(2R,3R)-
2-
{2',3',4,4',5,6-
Hexahydroxy-
6'-
[(2R,3R)-
3,5,7-
trihydroxy-
3,4-
dihydro-
2H-
chromen-
2-
yl]-
2-
biphenylyl}-
5,7-
dihydroxy-
3,4-
dihydro-
2H-
chromen-
3-
yl 3,4,5-
trihydroxybenzoate
Manual Xrefs
Databases
410676
ChemSpider
HMDB0038359
HMDB
View more database links
Last Modified
22 March 2017