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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:101169 - LSM-12538
Main
ChEBI Ontology
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ChEBI Name
LSM-12538
ChEBI ID
CHEBI:101169
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C20H19FN2O3S
Net Charge
0
Average Mass
386.442
Monoisotopic Mass
386.11004
InChI
InChI=1S/C20H19FN2O3S/c1-
2-
4-
14-
7-
9-
15(10-
8-
14)
20-
18(12-
22)
23(19(20)
13-
24)
27(25,26)
17-
6-
3-
5-
16(21)
11-
17/h2-
11,18-
20,24H,13H2,1H3/t18-
,19-
,20-
/m1/s1
InChIKey
CRECGCTYSBAAAJ-VAMGGRTRSA-N
SMILES
CC=CC1=CC=C(C=C1)[C@H]2[C@H](N([C@@H]2C#N)S(=O)(=O)C3=CC=CC(=C3)F)CO
ChEBI Ontology
Outgoing
LSM-12538 (
CHEBI:101169
)
is a
azetidines (
CHEBI:38777
)
LSM-12538 (
CHEBI:101169
)
is a
benzenes (
CHEBI:22712
)
LSM-12538 (
CHEBI:101169
)
is a
ring assembly (
CHEBI:36820
)
Manual Xref
Database
LSM-12538
LINCS
View more database links