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CHEBI:3196 - Brunsvigine

ChEBI IDCHEBI:3196
ChEBI NameBrunsvigine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H17NO4
Net Charge0
Average Mass287.315
Monoisotopic Mass287.11576
SMILES[H][C@]12C[C@@H](O)[C@@H](O)C=C1[C@H]1C[N@]2Cc2cc3c(cc21)OCO3
InChIInChI=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
InChIKeyJKZMYBLUKAMPKM-XDQVBPFNSA-N
ChEBI Ontology
Outgoing Relation(s)
Brunsvigine (CHEBI:3196) is a citraconoyl group (CHEBI:23315)
Synonym  Source
BrunsvigineKEGG COMPOUND
Manual XrefsDatabases
C08519KEGG COMPOUND
C00001563KNApSAcK
Registry NumbersSources
CAS:1354-81-0KEGG COMPOUND