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ChEBI
> Main
CHEBI:137484 - 6'-
O
-acetylsalicin
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ChEBI Name
6'-
O
-acetylsalicin
ChEBI ID
CHEBI:137484
ChEBI ASCII Name
6'-O-acetylsalicin
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This entity has been manually annotated by a third party.
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Formula
C15H20O8
Net Charge
0
Average Mass
328.315
Monoisotopic Mass
328.11582
InChI
InChI=1S/C15H20O8/c1-
8(17)
21-
7-
11-
12(18)
13(19)
14(20)
15(23-
11)
22-
10-
5-
3-
2-
4-
9(10)
6-
16/h2-
5,11-
16,18-
20H,6-
7H2,1H3/t11-
,12-
,13+,14-
,15-
/m1/s1
InChIKey
IERQJNGBILWLCY-UXXRCYHCSA-N
SMILES
[C@@H]1(OC=2C(=CC=CC2)CO)O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)COC(C)=O
ChEBI Ontology
Outgoing
6'-
O
-acetylsalicin (
CHEBI:137484
)
has functional parent
salicin (
CHEBI:17814
)
6'-
O
-acetylsalicin (
CHEBI:137484
)
is a
aryl β-
D
-glucoside (
CHEBI:28749
)
IUPAC Name
2-(hydroxymethyl)phenyl 6-
O
-acetyl-β-
D
-glucopyranoside
Last Modified
20 June 2017