input word = C00027683

Metabolite InformationStructural formula
Name 14-Benzoylaconine
Formula C32H45NO10
Mw 603.30434667
CAS RN 466-24-0
C_ID C00027683 ,
InChIKey DHJXZSFKLJCHLH-SSBSPGAUNA-N
InChICode InChI=1S/C32H45NO10/c1-6-33-14-29(15-39-2)18(34)12-19(40-3)31-17-13-30(37)26(43-28(36)16-10-8-7-9-11-16)20(17)32(38,25(35)27(30)42-5)21(24(31)33)22(41-4)23(29)31/h7-11,17-27,34-35,37-38H,6,12-15H2,1-5H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,29+,30-,31+,32+/m1/s1
SMILES N1(CC)C[C@@]2([C@@H](C[C@@H]([C@]34[C@H]1[C@H]([C@H]([C@H]23)OC)[C@]1([C@@H]2[C@H]4C[C@]([C@H]([C@@H]1O)OC)([C@@H]2OC(=O)c1ccccc1)O)O)OC)O)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeAconitum kusnezoffii Reichb. Ref.
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