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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:119460 - LSM-30909
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ChEBI Ontology
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ChEBI Name
LSM-30909
ChEBI ID
CHEBI:119460
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
C29H34N2O5S
Net Charge
0
Average Mass
522.658
Monoisotopic Mass
522.21884
InChI
InChI=1S/C29H34N2O5S/c1-
21-
17-
31(22(2)
19-
32)
29(33)
27-
16-
10-
9-
15-
26(27)
25-
14-
8-
7-
11-
23(25)
20-
36-
28(21)
18-
30(3)
37(34,35)
24-
12-
5-
4-
6-
13-
24/h4-
16,21-
22,28,32H,17-
20H2,1-
3H3/t21-
,22+,28+/m0/s1
InChIKey
NAOMOBPLTHOCBW-PFPZSTESSA-N
SMILES
C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)S(=O)(=O)C4=CC=CC=C4)[C@H](C)CO
ChEBI Ontology
Outgoing
LSM-30909 (
CHEBI:119460
)
is a
sulfonamide (
CHEBI:35358
)
Manual Xref
Database
LSM-30909
LINCS
View more database links