input word = C00032417

Metabolite InformationStructural formula
Name Trillenogenin
Formula C26H36O8
Mw 476.24101813
CAS RN 58809-10-2
C_ID C00032417 ,
InChIKey BIKUIZPELKRTDU-WSVJZDBLNA-N
InChICode InChI=1S/C26H36O8/c1-11-10-33-26(24(32)21(11)30)17(9-27)20-15-5-6-16-14(19(15)22(31)23(20)34-26)4-3-12-7-13(28)8-18(29)25(12,16)2/h3,11,13-14,16-18,20-21,23-24,27-30,32H,4-10H2,1-2H3/t11-,13+,14+,16-,17-,18+,20-,21+,23+,24-,25-,26-/m0/s1
SMILES C[C@H]1CO[C@@]2(O[C@H]3C(=O)C4=C(CC[C@H]5[C@H]4CC=C4C[C@@H](O)C[C@@H](O)[C@@]45C)[C@H]3[C@@H]2CO)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTrilliaceaeTrillium erectum L. Ref.
PlantaeTrilliaceaeTrillium kamtschaticum Ref.
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