EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:31023 - (+/-)-Bocconarborine A

ChEBI IDCHEBI:31023
ChEBI Name(+/-)-Bocconarborine A
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC44H36N2O9
Net Charge0
Average Mass736.777
Monoisotopic Mass736.24208
SMILESCOc1ccc2c(c1OC)[C@@H](CC(=O)C[C@H]1c3cc4c(cc3-c3ccc5cc6c(cc5c3N1C)OCO6)OCO4)N(C)c1c-2ccc2cc3c(cc12)OCO3
InChIInChI=1S/C44H36N2O9/c1-45-32(31-18-40-39(54-21-55-40)17-30(31)27-8-6-23-12-36-38(53-20-51-36)16-29(23)43(27)45)13-24(47)14-33-41-25(9-10-34(48-3)44(41)49-4)26-7-5-22-11-35-37(52-19-50-35)15-28(22)42(26)46(33)2/h5-12,15-18,32-33H,13-14,19-21H2,1-4H3/t32-,33+/m0/s1
InChIKeyMQZDOSAHCDNWQT-JHOUSYSJSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
(+/-)-Bocconarborine A (CHEBI:31023) is a benzophenanthridine alkaloid (CHEBI:38517)
Synonym  Source
(+/-)-Bocconarborine AKEGG COMPOUND
Manual XrefsDatabases
C12196KEGG COMPOUND