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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:129463 - LSM-41014
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ChEBI Ontology
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ChEBI Name
LSM-41014
ChEBI ID
CHEBI:129463
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C29H33N3O
Net Charge
0
Average Mass
439.593
Monoisotopic Mass
439.26236
InChI
InChI=1S/C29H33N3O/c33-
22-
28-
29(26-
14-
12-
24(13-
15-
26)
11-
10-
23-
7-
2-
1-
3-
8-
23)
27-
21-
31(17-
4-
5-
18-
32(27)
28)
20-
25-
9-
6-
16-
30-
19-
25/h1-
3,6-
16,19,27-
29,33H,4-
5,17-
18,20-
22H2/t27-
,28+,29-
/m0/s1
InChIKey
ORVIWTYNJHNTDZ-NHKHRBQYSA-N
SMILES
C1CCN2[C@@H](CN(C1)CC3=CN=CC=C3)[C@@H]([C@H]2CO)C4=CC=C(C=C4)C=CC5=CC=CC=C5
ChEBI Ontology
Outgoing
LSM-41014 (
CHEBI:129463
)
is a
stilbenoid (
CHEBI:26776
)
Manual Xref
Database
LSM-41014
LINCS
View more database links