input word = C00054493

Metabolite InformationStructural formula
Name 2,3:5,6-Diepoxy-14,17,20-trihydroxy-1-oxowith-24-enolide
Formula C28H38O8
Mw 502.25666819
CAS RN 106894-30-8
C_ID C00054493
InChIKey MOAQPAGVSDJBTR-DEHAEFHPSA-N
InChICode InChI=1S/C28H38O7/c1-13-10-19(34-23(30)14(13)2)26(5,31)18-7-9-27(32)16-11-20-28(35-20)12-17-21(33-17)22(29)25(28,4)15(16)6-8-24(18,27)3/h15-21,31-32H,6-12H2,1-5H3/t15-,16+,17+,18+,19+,20+,21+,24+,25-,26?,27+,28+/m0/s1
SMILES [H][C@]1([C@@]2(CC[C@@]3(C)[C@]1(CC[C@]3(C(C)(O)[C@@]4([H])CC(C)=C(C)C(O4)=O)[H])O)[H])C[C@]5([H])[C@]([C@@]26C)(O5)C[C@]7([H])[C@](O7)([H])C6=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
zoom in