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Examples:
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,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:119889 - LSM-31333
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ChEBI Ontology
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ChEBI Name
LSM-31333
ChEBI ID
CHEBI:119889
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C19H21N3O2
Net Charge
0
Average Mass
323.390
Monoisotopic Mass
323.16338
InChI
InChI=1S/C19H21N3O2/c1-
12-
17(13-
7-
5-
4-
6-
8-
13)
18(22-
21-
12)
20-
11-
14-
15(23)
9-
19(2,3)
10-
16(14)
24/h4-
8,11,14H,9-
10H2,1-
3H3,(H,21,22)
InChIKey
APWDKGYMBHLHFT-UHFFFAOYSA-N
SMILES
CC1=C(C(=NN1)N=CC2C(=O)CC(CC2=O)(C)C)C3=CC=CC=C3
ChEBI Ontology
Outgoing
LSM-31333 (
CHEBI:119889
)
is a
pyrazoles (
CHEBI:26410
)
LSM-31333 (
CHEBI:119889
)
is a
ring assembly (
CHEBI:36820
)
Manual Xref
Database
LSM-31333
LINCS
View more database links