input word = C00058268

Metabolite InformationStructural formula
Name Withaperuvin E
Formula C28H36O8
Mw 500.24101813
CAS RN 92125-38-7
C_ID C00058268
InChIKey DHNMHYCYRGRLRY-BMZLDTKYSA-N
InChICode InChI=1S/C28H36O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,20-21,32-34H,8-13H2,1-5H3/t16-,17+,20+,21+,23-,24-,25?,26+,27-,28+/m0/s1
SMILES O[C@@]1(C(O)(C)[C@@]2([H])CC(C)=C(C)C(O2)=O)CC[C@@]3(O)[C@]4([H])C[C@]5([H])[C@]([C@@]6(C)[C@@]4([H])CC[C@@]31C)(O5)C(C=CC6=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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