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iron*
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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:119246 - LSM-30695
Main
ChEBI Ontology
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ChEBI Name
LSM-30695
ChEBI ID
CHEBI:119246
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Molfile
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Formula
C30H36N2O3
Net Charge
0
Average Mass
472.620
Monoisotopic Mass
472.27259
InChI
InChI=1S/C30H36N2O3/c1-
22-
17-
32(23(2)
20-
33)
30(34)
28-
16-
10-
9-
15-
27(28)
26-
14-
8-
7-
13-
25(26)
21-
35-
29(22)
19-
31(3)
18-
24-
11-
5-
4-
6-
12-
24/h4-
16,22-
23,29,33H,17-
21H2,1-
3H3/t22-
,23+,29-
/m0/s1
InChIKey
BOHOTNADZNISIN-CTWZREHQSA-N
SMILES
C[C@H]1CN(C(=O)C2=CC=CC=C2C3=CC=CC=C3CO[C@H]1CN(C)CC4=CC=CC=C4)[C@H](C)CO
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted acid).
(via
organic amino compound
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
LSM-30695 (
CHEBI:119246
)
is a
aromatic amine (
CHEBI:33860
)
Manual Xref
Database
LSM-30695
LINCS
View more database links