input word = C00028652

Metabolite InformationStructural formula
Name N-Deacetyllappaconitine
Formula C30H42N2O7
Mw 542.29920171
CAS RN 11033-64-0
C_ID C00028652 ,
InChIKey VSUODASNSRJNCP-VIBIJIQFNA-N
InChICode InChI=1S/C30H42N2O7/c1-5-32-15-27(39-26(33)16-8-6-7-9-19(16)31)11-10-23(37-3)29-21(27)13-18(24(29)32)28(34)14-20(36-2)17-12-22(29)30(28,35)25(17)38-4/h6-9,17-18,20-25,34-35H,5,10-15,31H2,1-4H3/t17-,18+,20+,21-,22+,23+,24-,25+,27-,28+,29+,30+/m1/s1
SMILES [C@@H]12C[C@H]3[C@@]45[C@H]6[C@H](C[C@@H]4[C@](CN6CC)(CC[C@@H]5OC)OC(=O)c4c(cccc4)N)[C@@]([C@]3([C@H]2OC)O)(O)C[C@@H]1OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum finetianum Hand-Mazz. Ref.
PlantaeRanunculaceaeAconitum leucostomum Worosch. Ref.
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