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CHEBI:6957 - Mitraphylline

ChEBI IDCHEBI:6957
ChEBI NameMitraphylline
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC21H24N2O4
Net Charge0
Average Mass368.433
Monoisotopic Mass368.17361
SMILES[H][C@]12C[C@]3([H])N(CC[C@]34C(=O)Nc3ccccc34)C[C@]1([H])[C@H](C)OC=C2C(=O)OC
InChIInChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1
InChIKeyJMIAZDVHNCCPDM-DAFCLMLCSA-N
ChEBI Ontology
Outgoing Relation(s)
Mitraphylline (CHEBI:6957) is a indolizines (CHEBI:38485)
Synonym  Source
MitraphyllineKEGG COMPOUND
Manual XrefsDatabases
C09227KEGG COMPOUND
C00001752KNApSAcK
Registry NumbersSources
CAS:509-80-8KEGG COMPOUND