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Examples:
iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:94200 - LSM-4820
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ChEBI Ontology
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ChEBI Name
LSM-4820
ChEBI ID
CHEBI:94200
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C25H22FNO5
Net Charge
0
Average Mass
435.445
Monoisotopic Mass
435.14820
InChI
InChI=1S/C25H22FNO5/c1-
30-
21-
15-
17(16-
22(31-
2)
24(21)
32-
3)
10-
13-
23(28)
27-
14-
6-
8-
19(25(27)
29)
12-
11-
18-
7-
4-
5-
9-
20(18)
26/h4-
5,7-
10,13,15-
16H,6,14H2,1-
3H3
InChIKey
OSMBHPUZSJCCFM-UHFFFAOYSA-N
SMILES
COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=C(C2=O)C#CC3=CC=CC=C3F
ChEBI Ontology
Outgoing
LSM-4820 (
CHEBI:94200
)
has functional parent
cinnamic acid (
CHEBI:27386
)
LSM-4820 (
CHEBI:94200
)
is a
olefinic compound (
CHEBI:78840
)
Manual Xref
Database
LSM-4820
LINCS
View more database links