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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:7888 - Paederoside
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ChEBI Ontology
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ChEBI Name
Paederoside
ChEBI ID
CHEBI:7888
Stars
This entity has been manually annotated by a third party.
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Formula
C18H22O11S
Net Charge
0
Average Mass
446.427
Monoisotopic Mass
446.08828
InChI
InChI=1S/C18H22O11S/c1-
30-
18(24)
26-
4-
6-
2-
8-
11-
7(15(23)
27-
8)
5-
25-
16(10(6)
11)
29-
17-
14(22)
13(21)
12(20)
9(3-
19)
28-
17/h2,5,8-
14,16-
17,19-
22H,3-
4H2,1H3/t8-
,9+,10+,11-
,12+,13-
,14+,16-
,17-
/m0/s1
InChIKey
OJISWUQNQQWEND-FCVLBCLDSA-N
SMILES
CSC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]1[C@H]23
ChEBI Ontology
Outgoing
Paederoside (
CHEBI:7888
)
is a
glycoside (
CHEBI:24400
)
Synonym
Source
Paederoside
KEGG COMPOUND
Manual Xrefs
Databases
C00003094
KNApSAcK
C09795
KEGG COMPOUND
View more database links
Registry Number
Type
Source
20547-45-9
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014