input word = C00040803

Metabolite InformationStructural formula
Name 21,24R-Epoxy-25-hydroxytirucall-7-en-3-one
Formula C30H48O3
Mw 456.3603454
CAS RN 220864-18-6
C_ID C00040803 ,
InChIKey FDYYDOKKBVYCED-NQQBCGEDNA-N
InChICode InChI=1S/C30H48O3/c1-26(2)23-10-9-22-21(28(23,5)15-14-24(26)31)13-17-29(6)20(12-16-30(22,29)7)19-8-11-25(33-18-19)27(3,4)32/h9,19-21,23,25,32H,8,10-18H2,1-7H3/t19-,20+,21+,23+,25-,28-,29+,30-/m1/s1
SMILES CC(C)(O)[C@H]1CC[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeOwenia cepiodora Ref.
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