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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:3196 - Brunsvigine
Main
ChEBI Ontology
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ChEBI Name
Brunsvigine
ChEBI ID
CHEBI:3196
Stars
This entity has been manually annotated by a third party.
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Formula
C16H17NO4
Net Charge
0
Average Mass
287.311
Monoisotopic Mass
287.11576
InChI
InChI=1S/C16H17NO4/c18-
13-
2-
10-
11-
6-
17(12(10)
4-
14(13)
19)
5-
8-
1-
15-
16(3-
9(8)
11)
21-
7-
20-
15/h1-
3,11-
14,18-
19H,4-
7H2/t11-
,12-
,13-
,14+/m0/s1
InChIKey
JKZMYBLUKAMPKM-XDQVBPFNSA-N
SMILES
O[C@@H]1C[C@@H]2N3C[C@H](C2=C[C@@H]1O)c1cc2OCOc2cc1C3
ChEBI Ontology
Outgoing
Brunsvigine (
CHEBI:3196
)
is a
citraconoyl group (
CHEBI:23315
)
Synonym
Source
Brunsvigine
KEGG COMPOUND
Manual Xrefs
Databases
C00001563
KNApSAcK
C08519
KEGG COMPOUND
View more database links
Registry Number
Type
Source
1354-81-0
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014