input word = C00025777

Metabolite InformationStructural formula
Name Bonafousine
Formula C35H40N4O3
Mw 564.31004117
CAS RN 60820-65-7
C_ID C00025777 ,
InChIKey HLAQOSKRDJCTPZ-UHFFFAOYNA-N
InChICode InChI=1S/C35H40N4O3/c1-3-20-16-19-17-35(34(41)42-2)32-24(13-15-38(18-19)33(20)35)22-8-11-28(40)29(30(22)37-32)27-10-9-25-31-23(12-14-36-25)21-6-4-5-7-26(21)39(27)31/h4-8,11,19-20,25,27,33,36-37,40H,3,9-10,12-18H2,1-2H3/t19-,20+,25+,27-,33+,35-/m1/s1
SMILES c12c([nH]c3c1ccc(c3[C@@H]1n3c4[C@H](CC1)NCCc4c1c3cccc1)O)[C@]1([C@H]3N(CC2)C[C@@H](C1)C[C@@H]3CC)C(=O)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeBonafousia tetrastachya Ref.
PlantaeApocynaceaeTabernaemontana siphilitica Leeuwenberg Ref.
zoom in