CHEBI:3196 - Brunsvigine

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ChEBI Name Brunsvigine
ChEBI ID CHEBI:3196
Stars This entity has been manually annotated by a third party.
Supplier Information
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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
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Registry Number Type Source
1354-81-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014