input word = C00042083

Metabolite InformationStructural formula
Name 25R-Spirostan-4-ene-3,6,12-trione
Formula C27H36O5
Mw 440.25627426
CAS RN 214681-62-6
C_ID C00042083 ,
InChIKey PJNWRUYLFKBOLU-WOXXDUAENA-N
InChICode InChI=1S/C27H36O5/c1-14-5-8-27(31-13-14)15(2)24-22(32-27)11-19-17-10-21(29)20-9-16(28)6-7-25(20,3)18(17)12-23(30)26(19,24)4/h9,14-15,17-19,22,24H,5-8,10-13H2,1-4H3/t14-,15+,17+,18+,19+,22+,24+,25-,26-,27-/m1/s1
SMILES C[C@@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC(=O)[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeZygophyllaceaeTribulus terrestris Ref.
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