EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:3097 - Bikhaconitine

ChEBI IDCHEBI:3097
ChEBI NameBikhaconitine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H51NO11
Net Charge0
Average Mass673.800
Monoisotopic Mass673.34621
SMILES[H][C@]12C[C@]3(O)[C@@H](OC)C[C@](OC(C)=O)([C@@H]4C5N(CC)C[C@]6(COC)CC[C@H](OC)[C@@]51[C@]6([H])[C@H]4OC)[C@@]2([H])[C@H]3OC(=O)c1ccc(OC)c(OC)c1
InChIInChI=1S/C36H51NO11/c1-9-37-17-33(18-41-3)13-12-24(44-6)36-21-15-34(40)25(45-7)16-35(48-19(2)38,27(30(36)37)28(46-8)29(33)36)26(21)31(34)47-32(39)20-10-11-22(42-4)23(14-20)43-5/h10-11,14,21,24-31,40H,9,12-13,15-18H2,1-8H3/t21-,24+,25+,26-,27+,28+,29-,30?,31-,33+,34+,35-,36+/m1/s1
InChIKeyCYIFGHJXUWZGSW-GRXCUHEDSA-N
ChEBI Ontology
Outgoing Relation(s)
Bikhaconitine (CHEBI:3097) is a diterpenoid (CHEBI:23849)
Synonym  Source
BikhaconitineKEGG COMPOUND
Manual XrefsDatabases
C08664KEGG COMPOUND
C00001620KNApSAcK
Registry NumbersSources
CAS:6078-26-8KEGG COMPOUND