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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:31702 - Iocarmic acid
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ChEBI Ontology
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ChEBI Name
Iocarmic acid
ChEBI ID
CHEBI:31702
Stars
This entity has been manually annotated by a third party.
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Formulae
C24H20I6N4O8
C24H20I6N4O8
Net Charge
0
Average Mass
1253.865
Monoisotopic Mass
1253.55493
InChI
InChI=1S/C24H20I6N4O8/c1-
31-
21(37)
9-
13(25)
11(23(39)
40)
17(29)
19(15(9)
27)
33-
7(35)
5-
3-
4-
6-
8(36)
34-
20-
16(28)
10(22(38)
32-
2)
14(26)
12(18(20)
30)
24(41)
42/h3-
6H2,1-
2H3,(H,31,37)
(H,32,38)
(H,33,35)
(H,34,36)
(H,39,40)
(H,41,42)
InChIKey
SMQYOVYWPWASGU-UHFFFAOYSA-N
SMILES
N(C(CCCCC(NC1=C(I)C(C(NC)=O)=C(C(=C1I)C(O)=O)I)=O)=O)C2=C(I)C(C(NC)=O)=C(C(=C2I)C(O)=O)I
ChEBI Ontology
Outgoing
Iocarmic acid (
CHEBI:31702
)
is a
organic molecular entity (
CHEBI:50860
)
Synonym
Source
Iocarmic acid
KEGG COMPOUND
Manual Xrefs
Databases
1450
DrugCentral
D01099
KEGG DRUG
View more database links
Registry Number
Type
Source
10397-75-8
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017