input word = C00025903

Metabolite InformationStructural formula
Name Isobonafousine
Formula C35H40N4O3
Mw 564.31004117
CAS RN 76202-19-2
C_ID C00025903 ,
InChIKey YZKISHBNBLHLTP-UHFFFAOYNA-N
InChICode InChI=1S/C35H40N4O3/c1-3-20-15-19-17-35(34(41)42-2)32-23(12-14-38(18-19)33(20)35)22-10-11-28(40)29(30(22)37-32)26-16-24-21-7-4-5-9-27(21)39-13-6-8-25(36-26)31(24)39/h4-5,7,9-11,19-20,25-26,33,36-37,40H,3,6,8,12-18H2,1-2H3/t19-,20+,25-,26-,33+,35+/m1/s1
SMILES CCC1CC2CN3CCc4c([nH]c5c(C6Cc7c8n(c9ccccc79)CCCC8N6)c(O)ccc45)C(C(=O)OC)(C2)C13
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeBonafousia tetrastachya Ref.
PlantaeApocynaceaeTabernaemontana siphilitica Leeuwenberg Ref.
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