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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:102458 - LSM-13809
Main
ChEBI Ontology
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ChEBI Name
LSM-13809
ChEBI ID
CHEBI:102458
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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SDF
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Formula
C28H35N3O6S
Net Charge
0
Average Mass
541.661
Monoisotopic Mass
541.22466
InChI
InChI=1S/C28H35N3O6S/c1-
18-
14-
31(19(2)
16-
32)
28(33)
25-
13-
9-
8-
12-
24(25)
23-
11-
7-
6-
10-
22(23)
17-
36-
26(18)
15-
30(5)
38(34,35)
27-
20(3)
29-
37-
21(27)
4/h6-
13,18-
19,26,32H,14-
17H2,1-
5H3/t18-
,19+,26-
/m1/s1
InChIKey
UYIXVJNNAXNMSD-UYXZNNOOSA-N
SMILES
C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=C(ON=C4C)C)[C@@H](C)CO
ChEBI Ontology
Outgoing
LSM-13809 (
CHEBI:102458
)
is a
benzenoid aromatic compound (
CHEBI:33836
)
Manual Xref
Database
LSM-13809
LINCS
View more database links