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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:80012 - Ro 18-5364
Main
ChEBI Ontology
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ChEBI Name
Ro 18-5364
ChEBI ID
CHEBI:80012
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C22H25N3O3S
Net Charge
0
Average Mass
411.51700
Monoisotopic Mass
411.16166
InChI
InChI=1S/C22H25N3O3S/c1-
12-
17(23-
8-
7-
18(12)
28-
6)
11-
29(27)
20-
24-
15-
9-
13-
14(10-
16(15)
25-
20)
22(4,5)
19(26)
21(13,2)
3/h7-
10H,11H2,1-
6H3,(H,24,25)
InChIKey
YBCJDBBYBFMVEG-UHFFFAOYSA-N
SMILES
COc1ccnc(CS(=O)c2nc3cc4c(cc3[nH]2)C(C)(C)C(=O)C4(C)C)c1C
ChEBI Ontology
Outgoing
Ro 18-5364 (
CHEBI:80012
)
is a
benzimidazoles (
CHEBI:22715
)
Ro 18-5364 (
CHEBI:80012
)
is a
sulfoxide (
CHEBI:22063
)
Manual Xref
Database
C15665
KEGG COMPOUND
View more database links
Registry Number
Type
Source
101387-98-8
CAS Registry Number
KEGG COMPOUND