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 CC1=C(C)C(=O)O[C@@H]([C@@](C)(O)[C@@H]2CC[C@@]3(O)[C@@H]4C[C@H]5O[C@]56C[C@H]5O[C@H]5C(=O)[C@]6(C)[C@H]4CC[C@]23C)C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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