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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:110120 - LSM-21547
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ChEBI Ontology
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ChEBI Name
LSM-21547
ChEBI ID
CHEBI:110120
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
C25H32N4O4
Net Charge
0
Average Mass
452.547
Monoisotopic Mass
452.24236
InChI
InChI=1S/C25H32N4O4/c1-
5-
8-
19-
11-
21-
24(27-
13-
19)
33-
22(17(2)
14-
29(25(21)
32)
18(3)
16-
30)
15-
28(4)
23(31)
12-
20-
9-
6-
7-
10-
26-
20/h5-
11,13,17-
18,22,30H,12,14-
16H2,1-
4H3/t17-
,18-
,22+/m1/s1
InChIKey
QZTHWNUUUJWOTB-HMFYCAOWSA-N
SMILES
CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@@H](O2)CN(C)C(=O)CC3=CC=CC=N3)C)[C@H](C)CO
ChEBI Ontology
Outgoing
LSM-21547 (
CHEBI:110120
)
is a
aromatic ether (
CHEBI:35618
)
Manual Xref
Database
LSM-21547
LINCS
View more database links