input word = C00001655

Metabolite InformationStructural formula
Name Methyllycaconitine
Formula C37H50N2O10
Mw 682.34654583
CAS RN 21019-30-7
C_ID C00001655 ,
InChIKey XLTANAWLDBYGFU-UYMVCDKJNA-N
InChICode InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1
SMILES C([C@]12[C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@H]5[C@@]([C@@]([C@H]3OC)([C@H]4N(C2)CC)O)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)OC(=O)c1c(cccc1)N1C(=O)C[C@@H](C1=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeConsolida axilliflora DC Schrod Ref.
PlantaeRanunculaceaeDelphinium barbeyi Huth Ref.
PlantaeRanunculaceaeDelphinium corymbosum Rgl. Ref.
PlantaeRanunculaceaeDelphinium dissectum Ref.
PlantaeRanunculaceaeDelphinium elatum Ref.
PlantaeRanunculaceaeDelphinium grandiflorum Ref.
PlantaeRanunculaceaeDelphinium majus Ref.
PlantaeRanunculaceaeDelphinium nudicaule Torr.et Gray. Ref.
PlantaeRanunculaceaeDelphinium omeiense Ref.
PlantaeRanunculaceaeDelphinium pentagynum Ref.
PlantaeRanunculaceaeDelphinium stapeliosum Ref.
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OrganismDelphinium pentagynum
ReferenceDiaz,Phytochem.,65,(2004),2123