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Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:114615 - LSM-26077
Main
ChEBI Ontology
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ChEBI Name
LSM-26077
ChEBI ID
CHEBI:114615
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C31H31FN2O3
Net Charge
0
Average Mass
498.589
Monoisotopic Mass
498.23187
InChI
InChI=1S/C31H31FN2O3/c1-
37-
27-
17-
13-
24(14-
18-
27)
28-
8-
5-
19-
33(30(35)
25-
11-
12-
25)
29(20-
22-
6-
3-
2-
4-
7-
22)
31(36)
34(28)
21-
23-
9-
15-
26(32)
16-
10-
23/h2-
10,13-
18,25,28-
29H,11-
12,19-
21H2,1H3/t28?,29-
/m1/s1
InChIKey
FGEYVMWKHSUPNE-YPJJGMIRSA-N
SMILES
COC1=CC=C(C=C1)C2C=CCN([C@@H](C(=O)N2CC3=CC=C(C=C3)F)CC4=CC=CC=C4)C(=O)C5CC5
ChEBI Ontology
Outgoing
LSM-26077 (
CHEBI:114615
)
has functional parent
α-amino acid (
CHEBI:33704
)
LSM-26077 (
CHEBI:114615
)
is a
organonitrogen compound (
CHEBI:35352
)
LSM-26077 (
CHEBI:114615
)
is a
organooxygen compound (
CHEBI:36963
)
Manual Xref
Database
LSM-26077
LINCS
View more database links