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CHEBI:6587 - Lycaconitine

ChEBI IDCHEBI:6587
ChEBI NameLycaconitine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC36H48N2O10
Net Charge0
Average Mass668.784
Monoisotopic Mass668.33090
SMILES[H][C@]12C[C@]3([H])[C@]([H])([C@H]1OC)[C@](O)(C[C@@H]2OC)[C@]1(O)C2N(CC)C[C@]4(COC(=O)c5ccccc5N5C(=O)CCC5=O)CC[C@H](OC)[C@@]23[C@]4([H])[C@@H]1OC
InChIInChI=1S/C36H48N2O10/c1-6-37-17-33(18-48-31(41)19-9-7-8-10-22(19)38-25(39)11-12-26(38)40)14-13-24(45-3)35-21-15-20-23(44-2)16-34(42,27(21)28(20)46-4)36(43,32(35)37)30(47-5)29(33)35/h7-10,20-21,23-24,27-30,32,42-43H,6,11-18H2,1-5H3/t20-,21-,23+,24+,27-,28+,29-,30+,32?,33+,34-,35+,36-/m1/s1
InChIKeyKFXVNXQXPRPLQA-CPIHIRBUSA-N
ChEBI Ontology
Outgoing Relation(s)
Lycaconitine (CHEBI:6587) is a diterpenoid (CHEBI:23849)
Synonym  Source
LycaconitineKEGG COMPOUND
Manual XrefsDatabases
C08696KEGG COMPOUND
C00001652KNApSAcK
Registry NumbersSources
CAS:25867-19-0KEGG COMPOUND