input word = C00025561

Metabolite InformationStructural formula
Name alpha-Scopadonnine
Formula C34H38N2O6
Mw 570.27298696
CAS RN 545-85-7
C_ID C00025561 ,
InChIKey DZKBRKKSFHBYIN-UHFFFAOYNA-N
InChICode InChI=1S/C34H38N2O6/c1-35-24-14-19(15-25(35)29-28(24)41-29)39-32(37)22-12-13-34(18-8-4-3-5-9-18,23-11-7-6-10-21(22)23)33(38)40-20-16-26-30-31(42-30)27(17-20)36(26)2/h3-11,19-20,22,24-31H,12-17H2,1-2H3/t19-,20-,22-,24-,25+,26+,27-,28-,29+,30-,31+,34-/m0/s1
SMILES C1C[C@@H](c2c([C@]1(c1ccccc1)C(=O)O[C@@H]1C[C@H]3[C@H]4O[C@H]4[C@@H](C1)N3C)cccc2)C(=O)O[C@@H]1C[C@@H]2[C@H]3O[C@H]3[C@H](C1)N2C
Start Substs in Alk. Biosynthesis (Prediction) L-Asp Secologanin
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeDatura innoxia Mill Ref.
PlantaeSolanaceaeDuboisia leichardtii F.Muell Ref.
PlantaeSolanaceaeDuboisia leichhardtii Ref.
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OrganismDatura innoxia Mill
ReferenceAripova,Khim.Prir.Soedin.,(1991),532

Aripova,Chem.Natl.Compd.(Engl.Transl.)27,(1991),464