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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:4394 - Demethylalangiside
Main
ChEBI Ontology
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ChEBI Name
Demethylalangiside
ChEBI ID
CHEBI:4394
Stars
This entity has been manually annotated by a third party.
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Formula
C24H29NO10
Net Charge
0
Average Mass
491.489
Monoisotopic Mass
491.17915
InChI
InChI=1S/C24H29NO10/c1-
2-
11-
13-
6-
15-
12-
7-
17(28)
16(27)
5-
10(12)
3-
4-
25(15)
22(32)
14(13)
9-
33-
23(11)
35-
24-
21(31)
20(30)
19(29)
18(8-
26)
34-
24/h2,5,7,9,11,13,15,18-
21,23-
24,26-
31H,1,3-
4,6,8H2/t11-
,13+,15-
,18-
,19-
,20+,21-
,23+,24+/m1/s1
InChIKey
ODZVWJRTEQQVCO-RJRDEGSCSA-N
SMILES
OC[C@H]
1O[C@@H]
(O[C@@H]
2OC=C3[C@@H]
(C[C@H]
4N(CCc5cc(O)
c(O)
cc45)
C3=O)
[C@H]
2C=C)
[C@H]
(O)
[C@@H]
(O)
[C@@H]
1O
ChEBI Ontology
Outgoing
Demethylalangiside (
CHEBI:4394
)
is a
glycoside (
CHEBI:24400
)
Synonym
Source
Demethylalangiside
KEGG COMPOUND
Manual Xrefs
Databases
C00028162
KNApSAcK
C11813
KEGG COMPOUND
View more database links
Registry Number
Type
Source
47763-23-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014