input word = C00042151

Metabolite InformationStructural formula
Name 5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
(+)-5alpha,6beta,8alpha-Trihydroxy-28-norisotoonafolin
Formula C25H30O9
Mw 474.18898256
CAS RN 219830-25-8
C_ID C00042151 ,
InChIKey MOYKAXYISXRXMP-ADGXQLQINA-N
InChICode InChI=1S/C25H30O9/c1-20-9-13-17(22(3,29)25(20)16(33-25)7-12(20)11-5-6-31-10-11)21(2)15(32-13)8-14(26)23(4)24(21,30)18(27)19(28)34-23/h5-6,10,12-13,15-18,27,29-30H,7-9H2,1-4H3/t12-,13+,15-,16+,17+,18-,20-,21+,22+,23-,24-,25+/m0/s1
SMILES C[C@]12[C@H](CC(=O)[C@]3(C)OC(=O)[C@H](O)[C@]13O)O[C@@H]1C[C@@]3(C)[C@H](c4ccoc4)C[C@H]4O[C@]43[C@](C)(O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeToona ciliata Ref.
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