EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:8208 - Pilocereine

ChEBI IDCHEBI:8208
ChEBI NamePilocereine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC45H65N3O6
Net Charge0
Average Mass744.030
Monoisotopic Mass743.48734
SMILESCOc1cc2c(cc1Oc1c(Oc3c(O)c(OC)cc4c3C(CC(C)C)N(C)CC4)c(OC)cc3c1C(CC(C)C)N(C)CC3)C(CC(C)C)N(C)CC2
InChIInChI=1S/C45H65N3O6/c1-26(2)19-33-32-25-37(36(50-10)22-29(32)13-16-46(33)7)53-45-41-31(15-18-48(9)35(41)21-28(5)6)24-39(52-12)43(45)54-44-40-30(23-38(51-11)42(44)49)14-17-47(8)34(40)20-27(3)4/h22-28,33-35,49H,13-21H2,1-12H3
InChIKeyAFQDIEHIPKSXRL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Pilocereine (CHEBI:8208) is a aromatic ether (CHEBI:35618)
Synonym  Source
PilocereineKEGG COMPOUND
Manual XrefsDatabases
C09609KEGG COMPOUND
C00001903KNApSAcK
Registry NumbersSources
CAS:2552-47-8KEGG COMPOUND