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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:2985 - Balfourodine
Main
ChEBI Ontology
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ChEBI Name
Balfourodine
ChEBI ID
CHEBI:2985
Stars
This entity has been manually annotated by a third party.
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Formula
C16H19NO4
Net Charge
0
Average Mass
289.327
Monoisotopic Mass
289.13141
InChI
InChI=1S/C16H19NO4/c1-
16(2,19)
12-
8-
10-
14(18)
9-
6-
5-
7-
11(20-
4)
13(9)
17(3)
15(10)
21-
12/h5-
7,12,19H,8H2,1-
4H3/t12-
/m1/s1
InChIKey
VPNKCPHNFBSHAP-GFCCVEGCSA-N
SMILES
COc1cccc2c1n(C)c1O[C@H](Cc1c2=O)C(C)(C)O
ChEBI Ontology
Outgoing
Balfourodine (
CHEBI:2985
)
is a
organic heterotricyclic compound (
CHEBI:26979
)
Balfourodine (
CHEBI:2985
)
is a
organonitrogen heterocyclic compound (
CHEBI:38101
)
Balfourodine (
CHEBI:2985
)
is a
oxacycle (
CHEBI:38104
)
Synonym
Source
Balfourodine
KEGG COMPOUND
Manual Xrefs
Databases
C00002140
KNApSAcK
C10647
KEGG COMPOUND
View more database links
Registry Number
Type
Source
484-61-7
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014