input word = C00027688

Metabolite InformationStructural formula
Name 14-O-Acetylsenbusine
Formula C25H39NO7
Mw 465.27265261
CAS RN 158484-70-4
C_ID C00027688 ,
InChIKey FGSWZLKDPAJNCC-UHFFFAOYNA-N
InChICode InChI=1S/C25H39NO7/c1-5-26-10-23(11-31-3)7-6-16(28)25-14-8-13-15(32-4)9-24(30,17(14)20(13)33-12(2)27)18(22(25)26)19(29)21(23)25/h13-22,28-30H,5-11H2,1-4H3/t13-,14-,15+,16+,17-,18-,19-,20-,21+,22+,23-,24-,25-/m1/s1
SMILES N1(CC)C[C@]2(CC[C@@H]([C@@]34[C@@H]1[C@@H]([C@H]([C@@H]23)O)[C@@]1([C@@H]2[C@H]4C[C@H]([C@H](C1)OC)[C@H]2OC(=O)C)O)O)COC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg Secologanin
Organism
Kingdom Family Species Reference
--Brachycaudus aconiti Mordv. Ref.
--Brachycaudus napelli Schrk. Ref.
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