input word = C00054492

Metabolite InformationStructural formula
Name 15-Acetoxy-5,6-epoxy-4,14-dihydroxy-1-oxowitha-2,24-dienolide
Formula C30H40O8
Mw 528.27231825
CAS RN 100217-92-3
C_ID C00054492
InChIKey OPYWYTLAPWWTKW-RHITVKEVSA-N
InChICode InChI=1S/C30H40O8/c1-14-11-21(37-26(34)15(14)2)16(3)19-12-24(36-17(4)31)29(35)20-13-25-30(38-25)23(33)8-7-22(32)28(30,6)18(20)9-10-27(19,29)5/h7-8,16,18-21,23-25,33,35H,9-13H2,1-6H3/t16-,18-,19+,20+,21+,23-,24-,25+,27+,28-,29+,30+/m0/s1
SMILES CC(=O)O[C@H]1C[C@H]([C@H](C)[C@H]2CC(C)=C(C)C(=O)O2)[C@@]2(C)CC[C@H]3[C@@H](C[C@H]4O[C@]45[C@@H](O)C=CC(=O)[C@]35C)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubescens Ref.
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