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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:66228 - Thonningianin B
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ChEBI Name
Thonningianin B
ChEBI ID
CHEBI:66228
Definition
A natural product found in
Thonningia sanguinea
.
Stars
This entity has been manually annotated by a third party.
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Formula
C35H30O17
Net Charge
0
Average Mass
722.60250
Monoisotopic Mass
722.14830
InChI
InChI=1S/C35H30O17/c36-
17(7-
6-
13-
4-
2-
1-
3-
5-
13)
25-
18(37)
8-
14(9-
19(25)
38)
50-
35-
31(46)
30(45)
32-
22(51-
35)
12-
49-
33(47)
15-
10-
20(39)
26(41)
28(43)
23(15)
24-
16(34(48)
52-
32)
11-
21(40)
27(42)
29(24)
44/h1-
5,8-
11,22,30-
32,35,37-
46H,6-
7,12H2/t22-
,30-
,31-
,32-
,35-
/m1/s1
InChIKey
UJNCWORGHSATHA-XWSAIMBSSA-N
SMILES
[H]
[C@@]
12COC(=O)
c3cc(O)
c(O)
c(O)
c3-
c3c(O)
c(O)
c(O)
cc3C(=O)
O[C@@]
1([H]
)
[C@H]
(O)
[C@@H]
(O)
[C@H]
(Oc1cc(O)
c(C(=O)
CCc3ccccc3)
c(O)
c1)
O2
Metabolite of Species
Details
Thonningia sanguinea
(IPNI:329935-2)
See:
PubMed
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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
Thonningianin B (
CHEBI:66228
)
has role
metabolite (
CHEBI:25212
)
Thonningianin B (
CHEBI:66228
)
is a
tannin (
CHEBI:26848
)
Citation
Type
Source
10843586
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:flavonoids(CHEBI:72544); ISA:glycoside(CHEBI:24400); ISA:phenols(CHEBI:33853); ISA:chalcones(CHEBI:23086); ISA:trihydroxybenzoic acid(CHEBI:27115); ISA:carboxylic ester(CHEBI:33308); HFP:phloroglucinol(CHEBI:16204); ISA:butanone(CHEBI:22951); ISA:acetophenones(CHEBI:22187); ISA:benzenetriol(CHEBI:22707); ISA:aromatic ether(CHEBI:35618); ISA:resorcinols(CHEBI:33572); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic ketone(CHEBI:76224); ISA:catechols(CHEBI:33566); ISA:dicarboxylic acid(CHEBI:35692); ISA:oxanes(CHEBI:46942); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:enol(CHEBI:33823); ISA:secondary alcohol(CHEBI:35681); ISA:lactone(CHEBI:25000); ISA:polyol(CHEBI:26191); ISA:acetal(CHEBI:59769); ISA:organonitrogen compound(CHEBI:35352); ISA:aromatic alcohol(CHEBI:33854); ISA:organic anion(CHEBI:25696);