input word = C00027904

Metabolite InformationStructural formula
Name Aspidospermiose
Formula C24H32N2O5
Mw 428.23112215
CAS RN 183803-80-7
C_ID C00027904 ,
InChIKey KGEHNJICKPDDOV-ABHSDWHVNA-N
InChICode InChI=1S/C24H32N2O5/c1-2-23-9-5-12-25-13-11-24(22(23)25)14-6-3-4-7-15(14)26(16(24)8-10-23)20-18(28)17(27)19(29)21(30)31-20/h3-4,6-7,16-18,20-22,27-28,30H,2,5,8-13H2,1H3/t16-,17-,18+,20-,21+,22-,23-,24-/m0/s1
SMILES c1ccc2c(c1)[C@@]13[C@@H](N2[C@@H]2[C@@H]([C@@H](C(=O)[C@@H](O2)O)O)O)CC[C@]2([C@@H]1N(CC3)CCC2)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeRhazya stricta Ref.
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OrganismRhazya stricta
ReferenceHabib-ur-Rehman,Fitoterapia,67,(1996),145