input word = C00057515

Metabolite InformationStructural formula
Name Physalolactone
Formula C28H39ClO8
Mw 538.23334593
CAS RN 71339-25-8
C_ID C00057515
InChIKey XCJUXWOCLLPHII-UCQMDBQBSA-N
InChICode InChI=1S/C28H39ClO8/c1-14-12-21(37-22(32)15(14)2)25(5,33)27(35)11-10-26(34)17-13-18(29)28(36)20(31)7-6-19(30)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-18,20-21,31,33-36H,8-13H2,1-5H3/t16-,17+,18+,20-,21+,23-,24-,25-,26+,27-,28-/m0/s1
SMILES CC1=C(C)C(=O)O[C@@H]([C@](C)(O)[C@]2(O)CC[C@@]3(O)[C@@H]4C[C@@H](Cl)[C@]5(O)[C@@H](O)C=CC(=O)[C@]5(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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