CHEBI:6957 - Mitraphylline

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Mitraphylline
ChEBI ID CHEBI:6957
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C21H24N2O4
Net Charge 0
Average Mass 368.427
Monoisotopic Mass 368.17361
InChI InChI=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
InChIKey JMIAZDVHNCCPDM-DAFCLMLCSA-N
SMILES COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(=O)Nc1ccccc41
ChEBI Ontology
Outgoing Mitraphylline (CHEBI:6957) is a indolizines (CHEBI:38485)
Synonym Source
Mitraphylline KEGG COMPOUND
Manual Xrefs Databases
C00001752 KNApSAcK
C09227 KEGG COMPOUND
View more database links
Registry Number Type Source
509-80-8 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014