CHEBI:6587 - Lycaconitine

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ChEBI Name Lycaconitine
ChEBI ID CHEBI:6587
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C36H48N2O10
Net Charge 0
Average Mass 668.775
Monoisotopic Mass 668.33090
InChI InChI=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
InChIKey KFXVNXQXPRPLQA-CPIHIRBUSA-N
SMILES CCN1C[C@]2(COC(=O)c3ccccc3N3C(=O)CCC3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14
ChEBI Ontology
Outgoing Lycaconitine (CHEBI:6587) is a diterpenoid (CHEBI:23849)
Synonym Source
Lycaconitine KEGG COMPOUND
Manual Xrefs Databases
C00001652 KNApSAcK
C08696 KEGG COMPOUND
View more database links
Registry Number Type Source
25867-19-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014