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ChEBI
> Main
CHEBI:52076 - gibberellin A
3
O
-β-
D
-glucoside
Main
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ChEBI Name
gibberellin A
3
O
-β-
D
-glucoside
ChEBI ID
CHEBI:52076
ChEBI ASCII Name
gibberellin A3 O-beta-D-glucoside
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Kristian Axelsen
Supplier Information
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Formula
C25H32O11
Net Charge
0
Average Mass
508.51500
Monoisotopic Mass
508.19446
InChI
InChI=1S/C25H32O11/c1-
10-
7-
23-
9-
24(10,33)
5-
3-
12(23)
25-
6-
4-
13(22(2,21(32)
36-
25)
18(25)
14(23)
19(30)
31)
35-
20-
17(29)
16(28)
15(27)
11(8-
26)
34-
20/h4,6,11-
18,20,26-
29,33H,1,3,5,7-
9H2,2H3,(H,30,31)
/t11-
,12-
,13+,14-
,15-
,16+,17-
,18-
,20+,22-
,23+,24+,25-
/m1/s1
InChIKey
WUTOEZVIPGBMEA-HRHVLVCKSA-N
SMILES
[H]
[C@@]
12CC[C@]
3(O)
C[C@]
1(CC3=C)
[C@@H]
(C(O)
=O)
[C@]
1([H]
)
[C@@]
3(C)
[C@@H]
(O[C@@H]
4O[C@H]
(CO)
[C@@H]
(O)
[C@H]
(O)
[C@H]
4O)
C=C[C@@]
21OC3=O
ChEBI Ontology
Outgoing
gibberellin A
3
O
-β-
D
-glucoside (
CHEBI:52076
)
has functional parent
gibberellin A
3
(
CHEBI:28833
)
gibberellin A
3
O
-β-
D
-glucoside (
CHEBI:52076
)
is a
β-
D
-glucoside (
CHEBI:22798
)
gibberellin A
3
O
-β-
D
-glucoside (
CHEBI:52076
)
is conjugate acid of
gibberellin A
3
O
-β-
D
-glucoside(1−) (
CHEBI:59791
)
Incoming
gibberellin A
3
O
-β-
D
-glucoside(1−) (
CHEBI:59791
)
is conjugate base of
gibberellin A
3
O
-β-
D
-glucoside (
CHEBI:52076
)
IUPAC Names
(1
R
,2
R
,8
S
,9
S
,10
R
,11
S
,12
S
)-
12-
(β-
D
-
glucopyranosyloxy)-
5-
hydroxy-
11-
methyl-
6-
methylidene-
16-
oxo-
15-
oxapentacyclo[9.3.2.1
5,8
.0
1,10
.0
2,8
]heptadec-
13-
ene-
9-
carboxylic acid
2β-
(β-
D
-
glucopyranosyloxy)-
2β-
hydroxy-
1β-
methyl-
8-
methylidene-
13-
oxo-
4a,1α-
epoxymethano-
4aα,4bβ-
gibb-
3-
ene-
10β-
carboxylic acid
Synonym
Source
Gibberellin 2-O-beta-D-glucoside
KEGG COMPOUND
Manual Xref
Database
C04070
KEGG COMPOUND
View more database links
Last Modified
26 October 2017