input word = C00025082

Metabolite InformationStructural formula
Name Schizophylline
Formula C21H26N2O3
Mw 354.19434271
CAS RN 2447-60-1
C_ID C00025082 ,
InChIKey IBDNXNZBNIECNB-PIUGFBSPNA-N
InChICode InChI=1S/C21H26N2O3/c1-25-14-4-5-15-16-6-11-23-10-3-7-20(13-18(24)26-2)8-9-21(16,19(20)23)22-17(15)12-14/h3-5,7,12,16,19,22H,6,8-11,13H2,1-2H3/t16-,19+,20+,21-/m1/s1
SMILES c1c(cc2c(c1)[C@@H]1[C@@]3(N2)[C@H]2N(CC1)CC=C[C@]2(CC3)CC(=O)OC)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Lys Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeSchizozygia caffaeoidea Ref.
PlantaeApocynaceaeSchizozygia caffaeoides Ref.
--Schizopelte caffaeoides Ref.
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OrganismSchizozygia caffaeoidea
ReferenceRenner,Experientia,19,(1963),244