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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:79977 - CV 2961
Main
ChEBI Ontology
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ChEBI Name
CV 2961
ChEBI ID
CHEBI:79977
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C16H17ClN3NaO4
Net Charge
0
Average Mass
373.76700
Monoisotopic Mass
373.08053
InChI
InChI=1S/C16H18ClN3O4.Na/c1-
2-
3-
8-
14-
18-
16(17)
13(9-
15(21)
22)
19(14)
10-
11-
6-
4-
5-
7-
12(11)
20(23)
24;/h4-
7H,2-
3,8-
10H2,1H3,(H,21,22)
;/q;+1/p-
1
InChIKey
IOLLRZYQFFZPKF-UHFFFAOYSA-M
SMILES
[Na+].CCCCc1nc(Cl)c(CC([O-])=O)n1Cc1ccccc1[N+]([O-])=O
ChEBI Ontology
Outgoing
CV 2961 (
CHEBI:79977
)
is a
organic molecular entity (
CHEBI:50860
)
Synonym
Source
S 8308
KEGG COMPOUND
Manual Xref
Database
C15551
KEGG COMPOUND
View more database links
Registry Number
Type
Source
119256-78-9
CAS Registry Number
KEGG COMPOUND