input word = C00056411

Metabolite InformationStructural formula
Name 3,6-Epoxy-4,5,17,20-tetrahydroxy-1-oxowitha-14,24-dienolide
Formula C28H38O8
Mw 502.25666819
CAS RN 106894-31-9
C_ID C00056411
InChIKey YZKXYOSYQKJNOD-HWBXXZGMSA-N
InChICode InChI=1S/C28H38O8/c1-13-10-20(36-23(31)14(13)2)26(5,32)27(33)9-7-16-15-11-21-28(34)22(30)18(35-21)12-19(29)25(28,4)17(15)6-8-24(16,27)3/h7,15,17-18,20-22,30,32-34H,6,8-12H2,1-5H3/t15-,17-,18+,20+,21-,22-,24-,25-,26?,27-,28-/m0/s1
SMILES [H][C@@]12C[C@]([H])(O3)[C@]([C@@]4(C)[C@@]1([H])CC[C@@]5(C)C2=CC[C@@]5(O)C([C@@]6([H])CC(C)=C(C)C(O6)=O)(C)O)(O)[C@@H](O)[C@@]3([H])CC4=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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OrganismPhysalis peruviana
ReferenceSahai, M. et al., J. Chem. Res., Synop., 1983, 152-153 (Withaperuvin D)