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ChEBI
> Main
CHEBI:34551 - BRL 32872
Main
ChEBI Ontology
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ChEBI Name
BRL 32872
ChEBI ID
CHEBI:34551
Stars
This entity has been manually annotated by a third party.
Supplier Information
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Formula
C29H35N3O7.HCl
Net Charge
0
Average Mass
574.066
Monoisotopic Mass
573.22418
InChI
InChI=1S/C29H35N3O7.ClH/c1-
30(18-
15-
21-
7-
13-
25(36-
2)
27(19-
21)
38-
4)
16-
6-
17-
31(24-
12-
14-
26(37-
3)
28(20-
24)
39-
5)
29(33)
22-
8-
10-
23(11-
9-
22)
32(34)
35;/h7-
14,19-
20H,6,15-
18H2,1-
5H3;1H
InChIKey
CMKVOHIRMCFVBJ-UHFFFAOYSA-N
SMILES
Cl.COc1ccc(CCN(C)CCCN(C(=O)c2ccc(cc2)N(=O)=O)c2ccc(OC)c(OC)c2)cc1OC
ChEBI Ontology
Outgoing
BRL 32872 (
CHEBI:34551
)
is a
organic molecular entity (
CHEBI:50860
)
Synonym
Source
BRL 32872
KEGG COMPOUND
Manual Xref
Database
C13851
KEGG COMPOUND
View more database links
Last Modified
28 July 2014