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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:101489 - LSM-12852
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ChEBI Ontology
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ChEBI Name
LSM-12852
ChEBI ID
CHEBI:101489
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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SDF
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Formula
C31H34F3N3O4
Net Charge
0
Average Mass
569.616
Monoisotopic Mass
569.25014
InChI
InChI=1S/C31H34F3N3O4/c1-
20-
16-
37(21(2)
18-
38)
29(39)
27-
14-
7-
6-
13-
26(27)
25-
12-
5-
4-
9-
22(25)
19-
41-
28(20)
17-
36(3)
30(40)
35-
24-
11-
8-
10-
23(15-
24)
31(32,33)
34/h4-
15,20-
21,28,38H,16-
19H2,1-
3H3,(H,35,40)
/t20-
,21+,28-
/m0/s1
InChIKey
HSJIFMVKIOATEF-GTNJKRJXSA-N
SMILES
C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)C(=O)NC4=CC=CC(=C4)C(F)(F)F)[C@H](C)CO
ChEBI Ontology
Outgoing
LSM-12852 (
CHEBI:101489
)
is a
ureas (
CHEBI:47857
)
Manual Xref
Database
LSM-12852
LINCS
View more database links