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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:31904 - Nicomol
Main
ChEBI Ontology
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ChEBI Name
Nicomol
ChEBI ID
CHEBI:31904
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
XML
SDF
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Formulae
C34H32N4O9
C34H32N4O9
Net Charge
0
Average Mass
640.641
Monoisotopic Mass
640.21693
InChI
InChI=1S/C34H32N4O9/c39-
28(24-
6-
1-
12-
35-
16-
24)
44-
20-
33(21-
45-
29(40)
25-
7-
2-
13-
36-
17-
25)
10-
5-
11-
34(32(33)
43,22-
46-
30(41)
26-
8-
3-
14-
37-
18-
26)
23-
47-
31(42)
27-
9-
4-
15-
38-
19-
27/h1-
4,6-
9,12-
19,32,43H,5,10-
11,20-
23H2
InChIKey
VRAHPESAMYMDQI-UHFFFAOYSA-N
SMILES
C(OC(=O)C=1C=CC=NC1)C2(COC(=O)C=3C=CC=NC3)C(O)C(COC(=O)C=4C=CC=NC4)(COC(=O)C=5C=CC=NC5)CCC2
ChEBI Ontology
Outgoing
Nicomol (
CHEBI:31904
)
is a
organic molecular entity (
CHEBI:50860
)
Synonyms
Sources
cholexamin
DrugCentral
cholexamine
DrugCentral
Nicomol
KEGG COMPOUND
Manual Xrefs
Databases
1917
DrugCentral
D01291
KEGG DRUG
View more database links
Registry Number
Type
Source
27959-26-8
CAS Registry Number
KEGG COMPOUND
Last Modified
22 February 2017