input word = C00054745

Metabolite InformationStructural formula
Name 5,6
16,23-Diepoxy-4,20,22-trihydroxy-1-oxoergost-2-en-26,23-olide
Formula C28H38O8
Mw 502.25666819
CAS RN 71801-44-0
C_ID C00054745
InChIKey RJARWAVNDSGUGC-JSAVSUPBSA-N
InChICode InChI=1S/C28H38O8/c1-12-13(2)28(36-22(12)31)23(32)26(5,33)21-17(34-28)11-16-14-10-20-27(35-20)19(30)7-6-18(29)25(27,4)15(14)8-9-24(16,21)3/h6-7,12-17,19-21,23,30,32-33H,8-11H2,1-5H3/t12-,13-,14-,15+,16+,17+,19+,20-,21+,23+,24+,25+,26-,27-,28+/m1/s1
SMILES C[C@@H]1[C@@H](C)C(=O)O[C@@]12O[C@H]1C[C@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]3(C)[C@H]1[C@@](C)(O)[C@@H]2O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis philadelphica Ref.
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