input word = C00026061

Metabolite InformationStructural formula
Name Tetrastachynine
Formula C42H50N4O6
Mw 706.37303536
CAS RN 79887-94-8
C_ID C00026061 ,
InChIKey WBVTYPROYSVUHH-UHFFFAOYNA-N
InChICode InChI=1S/C42H50N4O6/c1-5-23-18-22-19-42(39(50)52-4)34-25(12-16-46(21-22)36(23)42)24-9-11-29(47)30(31(24)43-34)26-8-10-28-32(33(26)48)44-35-27(37(49)51-3)20-40(6-2)13-7-15-45-17-14-41(28,35)38(40)45/h8-11,22-23,36,38,43-44,47-48H,5-7,12-21H2,1-4H3/t22-,23+,36+,38+,40+,41+,42-/m0/s1
SMILES CCC1CC2CN3CCc4c([nH]c5c(-c6ccc7c(c6O)NC6=C(C(=O)OC)CC8(CC)CCCN9CCC67C98)c(O)ccc45)C(C(=O)OC)(C2)C13
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Pro Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeTabernaemontana siphilitica Leeuwenberg Ref.
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