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 C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2([C@@H]1O)C)CCC1=C3C(=O)[C@H]2[C@@H]1[C@@H]([C@@]1(O2)OC[C@@H]([C@H]([C@@H]1O)O)C)CO)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeTrilliaceaeTrillium erectum L. Ref.
PlantaeTrilliaceaeTrillium kamtschaticum Ref.
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