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iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:119576 - LSM-31022
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ChEBI Ontology
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ChEBI Name
LSM-31022
ChEBI ID
CHEBI:119576
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C25H32N2O5S
Net Charge
0
Average Mass
472.599
Monoisotopic Mass
472.20319
InChI
InChI=1S/C25H32N2O5S/c1-
5-
9-
20-
12-
13-
24-
22(14-
20)
32-
23(16-
26(4)
25(29)
21-
10-
7-
6-
8-
11-
21)
18(2)
15-
27(19(3)
17-
28)
33(24,30)
31/h5-
14,18-
19,23,28H,15-
17H2,1-
4H3/t18-
,19+,23-
/m0/s1
InChIKey
BEUJQTDXAJTLJD-YYDVJCTNSA-N
SMILES
CC=CC1=CC2=C(C=C1)S(=O)(=O)N(C[C@@H]([C@@H](O2)CN(C)C(=O)C3=CC=CC=C3)C)[C@H](C)CO
ChEBI Ontology
Outgoing
LSM-31022 (
CHEBI:119576
)
is a
benzamides (
CHEBI:22702
)
Manual Xref
Database
LSM-31022
LINCS
View more database links