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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:80003 - Fexaramine
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ChEBI Ontology
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ChEBI Name
Fexaramine
ChEBI ID
CHEBI:80003
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C32H36N2O3
Net Charge
0
Average Mass
496.63980
Monoisotopic Mass
496.27259
InChI
InChI=1S/C32H36N2O3/c1-
33(2)
29-
19-
17-
27(18-
20-
29)
26-
15-
12-
25(13-
16-
26)
23-
34(32(36)
28-
9-
5-
4-
6-
10-
28)
30-
11-
7-
8-
24(22-
30)
14-
21-
31(35)
37-
3/h7-
8,11-
22,28H,4-
6,9-
10,23H2,1-
3H3/b21-
14+
InChIKey
VLQTUNDJHLEFEQ-KGENOOAVSA-N
SMILES
COC(=O)\C=C\c1cccc(c1)N(Cc1ccc(cc1)-c1ccc(cc1)N(C)C)C(=O)C1CCCCC1
ChEBI Ontology
Outgoing
Fexaramine (
CHEBI:80003
)
is a
biphenyls (
CHEBI:22888
)
Manual Xref
Database
C15649
KEGG COMPOUND
View more database links
Registry Number
Type
Source
574013-66-4
CAS Registry Number
KEGG COMPOUND