input word = C00002278

Metabolite InformationStructural formula
Name Belladonnine
Formula C34H42N2O4
Mw 542.31445784
CAS RN 510-25-8
C_ID C00002278 ,
InChIKey GERIGMSHTUAXSI-VSFMPYMYNA-N
InChICode InChI=1S/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3/t23-,24?,25-,26+,27-,28-,30-,34-/m0/s1
SMILES CN1C2CC[C@@H]1C[C@@H](OC(=O)[C@H]1CC[C@](C(=O)O[C@H]3CC4CC[C@H](C3)N4C)(c3ccccc3)c3ccccc31)C2
Start Substs in Alk. Biosynthesis (Prediction) L-Asp Secologanin
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeAtropa bella-donna Ref.
PlantaeSolanaceaeAtropa belladonna Ref.
PlantaeSolanaceaeHyoscyamus niger Ref.
--Physochliana alaica Ref.
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OrganismPhysochliana alaica
ReferenceHarborne,Phytochemical Dictionary Second Edition,Taylor and Francis,(1999),Chapter30