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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:129245 - LSM-40796
Main
ChEBI Ontology
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ChEBI Name
LSM-40796
ChEBI ID
CHEBI:129245
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C25H30N4O2
Net Charge
0
Average Mass
418.532
Monoisotopic Mass
418.23688
InChI
InChI=1S/C25H30N4O2/c1-
2-
3-
18-
6-
8-
21(9-
7-
18)
24-
22(14-
30)
29(13-
20-
11-
26-
17-
27-
12-
20)
25(24)
15-
28(16-
25)
23(31)
10-
19-
4-
5-
19/h2-
3,6-
9,11-
12,17,19,22,24,30H,4-
5,10,13-
16H2,1H3/t22-
,24+/m1/s1
InChIKey
CEWJYQYGXCECNS-VWNXMTODSA-N
SMILES
CC=CC1=CC=C(C=C1)[C@H]2[C@H](N(C23CN(C3)C(=O)CC4CC4)CC5=CN=CN=C5)CO
ChEBI Ontology
Outgoing
LSM-40796 (
CHEBI:129245
)
is a
azetidines (
CHEBI:38777
)
LSM-40796 (
CHEBI:129245
)
is a
benzenes (
CHEBI:22712
)
LSM-40796 (
CHEBI:129245
)
is a
ring assembly (
CHEBI:36820
)
Manual Xref
Database
LSM-40796
LINCS
View more database links