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ChEBI
> Main
CHEBI:28268 - aurantio-obtusin β-
D
-glucoside
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ChEBI Ontology
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ChEBI Name
aurantio-obtusin β-
D
-glucoside
ChEBI ID
CHEBI:28268
ChEBI ASCII Name
aurantio-obtusin beta-D-glucoside
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:2924, CHEBI:22675
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Formula
C23H24O12
Net Charge
0
Average Mass
492.42946
Monoisotopic Mass
492.12678
InChI
InChI=1S/C23H24O12/c1-
7-
4-
8-
13(22(33-
3)
14(7)
25)
17(28)
12-
9(15(8)
26)
5-
10(21(32-
2)
18(12)
29)
34-
23-
20(31)
19(30)
16(27)
11(6-
24)
35-
23/h4-
5,11,16,19-
20,23-
25,27,29-
31H,6H2,1-
3H3/t11-
,16-
,19+,20-
,23-
/m1/s1
InChIKey
LQYQYAJWKXDTHR-PHVGODQESA-N
SMILES
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c1O
ChEBI Ontology
Outgoing
aurantio-obtusin β-
D
-glucoside (
CHEBI:28268
)
has functional parent
aurantio-obtusin (
CHEBI:37386
)
aurantio-obtusin β-
D
-glucoside (
CHEBI:28268
)
is a
β-
D
-glucoside (
CHEBI:22798
)
aurantio-obtusin β-
D
-glucoside (
CHEBI:28268
)
is a
dihydroxyanthraquinone (
CHEBI:37484
)
IUPAC Name
4,6-
dihydroxy-
3,5-
dimethoxy-
7-
methyl-
9,10-
dioxo-
9,10-
dihydroanthracen-
2-
yl β-
D
-
glucopyranoside
Synonym
Source
Aurantio-obtusin beta-D-glucoside
KEGG COMPOUND
Manual Xrefs
Databases
C00002796
KNApSAcK
C10303
KEGG COMPOUND
View more database links
Registry Number
Type
Source
129025-96-3
CAS Registry Number
KEGG COMPOUND
Last Modified
14 June 2016