input word = C00027092

Metabolite InformationStructural formula
Name Alstophyllal
Formula C22H26N2O3
Mw 366.19434271
CAS RN 685508-23-0
C_ID C00027092 ,
InChIKey OKOHMBRGHIAYBH-ZTHXDYBINA-N
InChICode InChI=1S/C22H26N2O3/c1-12-17(10-25)15-8-21-22-16(9-20(23(21)2)18(15)11-27-12)14-6-5-13(26-4)7-19(14)24(22)3/h5-7,10,15,18,20-21H,8-9,11H2,1-4H3/t15-,18+,20-,21-/m0/s1
SMILES COc1ccc2c3c(n(C)c2c1)[C@@H]1C[C@H]2C(C=O)=C(C)OC[C@H]2[C@H](C3)N1C
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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