input word = C00025068

Metabolite InformationStructural formula
Name (+)-Tenuicausine
Formula C41H46N4O3
Mw 642.35699136
CAS RN 119212-24-7
C_ID C00025068 ,
InChIKey ZQWXPMGCNIJOIB-UHFFFAOYNA-N
InChICode InChI=1S/C41H46N4O3/c1-5-39-14-9-17-43-19-13-26-25-11-7-8-12-31(25)45(34(26)36(39)43)32(24-39)27-21-29-30(22-33(27)47-3)42-35-28(37(46)48-4)23-40(6-2)15-10-18-44-20-16-41(29,35)38(40)44/h7-12,14-15,21-22,32,36,38,42H,5-6,13,16-20,23-24H2,1-4H3/t32-,36-,38+,39-,40-,41+/m0/s1
SMILES c12c(cccc1)n1c3c2CCN2[C@@H]3[C@@](C=CC2)(C[C@H]1c1c(cc2c(c1)[C@]13C(=C(C[C@]4([C@H]1N(CC=C4)CC3)CC)C(=O)OC)N2)OC)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Secologanin
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeMelodinus tenuicaudatus Ref.
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