input word = C00054835

Metabolite InformationStructural formula
Name 24,25-Epoxywithanolide D. 5,6
24,25-Diepoxy-4,20-dihydroxy-1-oxowitha-2-enolide
Formula C28H38O7
Mw 486.26175357
CAS RN 107221-66-9
C_ID C00054835
InChIKey XSDOAUFXJBFVLE-UVEJPJCTSA-N
InChICode InChI=1S/C28H38O7/c1-23-11-10-16-14(12-20-28(34-20)19(30)9-8-18(29)25(16,28)3)15(23)6-7-17(23)26(4,32)21-13-24(2)27(5,35-24)22(31)33-21/h8-9,14-17,19-21,30,32H,6-7,10-13H2,1-5H3/t14-,15-,16-,17-,19-,20+,21+,23-,24-,25-,26+,27+,28+/m0/s1
SMILES C[C@@](C1)(O2)[C@@]2(C)C(O[C@@]1([H])[C@@](O)(C)[C@@]3([H])CC[C@@]4([H])[C@]5([H])C[C@]6([H])[C@]([C@@]7(C)[C@@]5([H])CC[C@@]43C)(O6)[C@@H](O)C=CC7=O)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis angulata Ref.
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