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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:98415 - LSM-9794
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ChEBI Ontology
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ChEBI Name
LSM-9794
ChEBI ID
CHEBI:98415
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C34H40N4O5
Net Charge
0
Average Mass
584.706
Monoisotopic Mass
584.29987
InChI
InChI=1S/C34H40N4O5/c1-
22-
18-
38(23(2)
20-
39)
33(40)
32-
31(28-
15-
8-
9-
16-
29(28)
37(32)
4)
27-
14-
7-
6-
11-
24(27)
21-
43-
30(22)
19-
36(3)
34(41)
35-
25-
12-
10-
13-
26(17-
25)
42-
5/h6-
17,22-
23,30,39H,18-
21H2,1-
5H3,(H,35,41)
/t22-
,23+,30-
/m1/s1
InChIKey
FNKQMQRSMOAQIH-DUELTEGESA-N
SMILES
C[C@@H]1CN(C(=O)C2=C(C3=CC=CC=C3CO[C@@H]1CN(C)C(=O)NC4=CC(=CC=C4)OC)C5=CC=CC=C5N2C)[C@@H](C)CO
Roles Classification
Chemical Role
(s):
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Br
o
nsted base).
(via
oxoacid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
LSM-9794 (
CHEBI:98415
)
is a
indolyl carboxylic acid (
CHEBI:46867
)
Manual Xref
Database
LSM-9794
LINCS
View more database links