input word = C00035343

Metabolite InformationStructural formula
Name N-Acetylsepaconitine
Formula C32H44N2O9
Mw 600.30468102
CAS RN 118201-55-1
C_ID C00035343 ,
InChIKey XPJJEBWSRBGFIH-SKNHKPQGNA-N
InChICode InChI=1S/C32H44N2O9/c1-6-34-16-28(43-27(36)18-9-7-8-10-21(18)33-17(2)35)12-11-24(41-4)31-23(28)13-20(25(31)34)29(37)15-22(40-3)19-14-30(31,38)32(29,39)26(19)42-5/h7-10,19-20,22-26,37-39H,6,11-16H2,1-5H3,(H,33,35)/t19-,20-,22+,23?,24+,25+,26+,28-,29+,30-,31-,32+/m1/s1
SMILES CCN1C[C@]2(OC(=O)c3ccccc3NC(C)=O)CC[C@H](OC)C34C1C(C[C@@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@]4(O)[C@]1(O)[C@H]2OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum laeve Ref.
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OrganismAconitum laeve
ReferenceShaheen,Phytochem.,66,(2005),935