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CHEBI:9782 - Tussilagine

ChEBI IDCHEBI:9782
ChEBI NameTussilagine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC10H17NO3
Net Charge0
Average Mass199.250
Monoisotopic Mass199.12084
SMILES[H][C@@]12CCCN1C[C@@](C)(O)[C@H]2C(=O)OC
InChIInChI=1S/C10H17NO3/c1-10(13)6-11-5-3-4-7(11)8(10)9(12)14-2/h7-8,13H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChIKeyLADVYSUMGRTFSZ-QXFUBDJGSA-N
ChEBI Ontology
Outgoing Relation(s)
Tussilagine (CHEBI:9782) is a pyrrolizines (CHEBI:38522)
Synonym  Source
TussilagineKEGG COMPOUND
Manual XrefsDatabases
C10411KEGG COMPOUND
C00002125KNApSAcK
Registry NumbersSources
CAS:80151-77-5KEGG COMPOUND