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CHEBI:31895 - Nangustine

ChEBI IDCHEBI:31895
ChEBI NameNangustine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC16H17NO4
Net Charge0
Average Mass287.315
Monoisotopic Mass287.11576
SMILES[H][C@@]12C(=CC[C@H](O)[C@H]1O)[C@H]1C[N@]2Cc2cc3c(cc21)OCO3
InChIInChI=1S/C16H17NO4/c18-12-2-1-9-11-6-17(15(9)16(12)19)5-8-3-13-14(4-10(8)11)21-7-20-13/h1,3-4,11-12,15-16,18-19H,2,5-7H2/t11-,12+,15-,16-/m1/s1
InChIKeySZJIAQIHDKIFGC-NOXHYTERSA-N
ChEBI Ontology
Outgoing Relation(s)
Nangustine (CHEBI:31895) is a citraconoyl group (CHEBI:23315)
Synonym  Source
NangustineKEGG COMPOUND
Manual XrefsDatabases
C12185KEGG COMPOUND