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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
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caffeine
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ChEBI
> Main
CHEBI:98865 - LSM-10244
Main
ChEBI Ontology
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ChEBI Name
LSM-10244
ChEBI ID
CHEBI:98865
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C32H39N3O5
Net Charge
0
Average Mass
545.670
Monoisotopic Mass
545.28897
InChI
InChI=1S/C32H39N3O5/c1-
22-
18-
35(23(2)
20-
36)
31(37)
29-
12-
8-
7-
11-
28(29)
27-
10-
6-
5-
9-
25(27)
21-
40-
30(22)
19-
34(3)
32(38)
33-
17-
24-
13-
15-
26(39-
4)
16-
14-
24/h5-
16,22-
23,30,36H,17-
21H2,1-
4H3,(H,33,38)
/t22-
,23+,30-
/m1/s1
InChIKey
BRMWAKMKOMKLLH-DUELTEGESA-N
SMILES
C[C@@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NCC4=CC=C(C=C4)OC)[C@@H](C)CO
ChEBI Ontology
Outgoing
LSM-10244 (
CHEBI:98865
)
is a
methoxybenzenes (
CHEBI:51683
)
Manual Xref
Database
LSM-10244
LINCS
View more database links