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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3244 - butrin
Main
ChEBI Ontology
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ChEBI Name
butrin
ChEBI ID
CHEBI:3244
Definition
A flavanone glycoside that is butin substituted by two β-
D
-glucopyranosyl residues at positions 7 and 3' respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C27H32O15
Net Charge
0
Average Mass
596.53400
Monoisotopic Mass
596.17412
InChI
InChI=1S/C27H32O15/c28-
8-
18-
20(32)
22(34)
24(36)
26(41-
18)
38-
11-
2-
3-
12-
14(31)
7-
15(39-
16(12)
6-
11)
10-
1-
4-
13(30)
17(5-
10)
40-
27-
25(37)
23(35)
21(33)
19(9-
29)
42-
27/h1-
6,15,18-
30,32-
37H,7-
9H2/t15-
,18+,19+,20+,21+,22-
,23-
,24+,25+,26+,27+/m0/s1
InChIKey
QVCQYYYTMIZOGK-VQBAZXIRSA-N
SMILES
OC[C@H]
1O[C@@H]
(Oc2ccc3C(=O)
C[C@H]
(Oc3c2)
c2ccc(O)
c(O[C@@H]
3O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
3O)
c2)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
1O
Metabolite of Species
Details
Butea monosperma
(NCBI:txid56060)
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.
Application
(s):
anti-inflammatory agent
Any compound that has anti-inflammatory effects.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
butrin (
CHEBI:3244
)
has functional parent
butin (
CHEBI:27725
)
butrin (
CHEBI:3244
)
has role
anti-inflammatory agent (
CHEBI:67079
)
butrin (
CHEBI:3244
)
has role
plant metabolite (
CHEBI:76924
)
butrin (
CHEBI:3244
)
is a
4'-hydroxyflavanones (
CHEBI:140331
)
butrin (
CHEBI:3244
)
is a
flavanone glycoside (
CHEBI:72730
)
butrin (
CHEBI:3244
)
is a
monohydroxyflavanone (
CHEBI:38748
)
IUPAC Name
(2
S
)-
2-
[3-
(β-
D
-
glucopyranosyloxy)-
4-
hydroxyphenyl]-
4-
oxo-
3,4-
dihydro-
2
H
-
1-
benzopyran-
7-
yl β-
D
-
glucopyranoside
Synonym
Source
Butin 7,3'-di-O-glucoside
KEGG COMPOUND
Manual Xrefs
Databases
C00000946
KNApSAcK
C09616
KEGG COMPOUND
LMPK12140065
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
10320972
Reaxys Registry Number
Reaxys
492-13-7
CAS Registry Number
KEGG COMPOUND
Citations
Types
Sources
20164300
PubMed citation
Europe PMC
23680157
PubMed citation
Europe PMC
3725938
PubMed citation
Europe PMC
Last Modified
05 April 2018