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@@]12[C@](C[C@@]3([H])[C@]2([H])[C@](O)(C)[C@H](O)[C@@]4([C@H](C)[C@@H](C)C(O4)=O)O3)([H])[C@]5([H])C[C@@H]6[C@]([C@@]7(C)[C@@]5([H])CC1)(O6)[C@@H](O)C=CC7=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis philadelphica Ref.
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