input word = C00001650

Metabolite InformationStructural formula
Name Lappaconitine
Formula C32H44N2O8
Mw 584.3097664
CAS RN 32854-75-4
C_ID C00001650 ,
InChIKey NWBWCXBPKTTZNQ-DJACMGDFNA-N
InChICode InChI=1S/C32H44N2O8/c1-6-34-16-29(42-28(36)18-9-7-8-10-21(18)33-17(2)35)12-11-25(40-4)31-23(29)14-20(26(31)34)30(37)15-22(39-3)19-13-24(31)32(30,38)27(19)41-5/h7-10,19-20,22-27,37-38H,6,11-16H2,1-5H3,(H,33,35)/t19-,20+,22+,23-,24+,25+,26-,27+,29-,30+,31+,32+/m1/s1
SMILES [C@@]12([C@@H]3[C@@]4([C@H](CC1)OC)[C@H]1[C@]5([C@@]([C@@H](C3)[C@H]4N(C2)CC)(C[C@@H]([C@H]([C@@H]5OC)C1)OC)O)O)OC(=O)c1c(cccc1)NC(=O)C
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum barbatum var.puberulum Ref.
PlantaeRanunculaceaeAconitum excelsum Ref.
PlantaeRanunculaceaeAconitum finetianum Ref.
PlantaeRanunculaceaeAconitum laeve Ref.
PlantaeRanunculaceaeAconitum leucostomum Worosch. Ref.
PlantaeRanunculaceaeAconitum orientale Ref.
PlantaeRanunculaceaeAconitum ranunculaefolium Ref.
PlantaeRanunculaceaeAconitum septentrionale Ref.
PlantaeRanunculaceaeAconitum sinomontanum Ref.
PlantaeRanunculaceaeDelphinium cashmerianum Ref.
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