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 c1c(cc2c(c1)c1c(n2C)[C@H]2N([C@@H](C1)[C@H]1[C@@H](C2)C(=C(OC1)C)C=O)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeAlstonia macrophylla Ref.
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