input word = C00054468

Metabolite InformationStructural formula
Name 4-Deoxyphysalolactone
Formula C28H39ClO7
Mw 522.23843131
CAS RN 78286-00-7
C_ID C00054468
InChIKey DSFWZSDSZFDOMA-KMMUWFSYSA-N
InChICode InChI=1S/C28H39ClO7/c1-15-13-21(36-22(31)16(15)2)25(5,32)28(35)12-11-26(33)18-14-19(29)27(34)9-6-7-20(30)24(27,4)17(18)8-10-23(26,28)3/h6-7,17-19,21,32-35H,8-14H2,1-5H3/t17-,18+,19-,21+,23-,24-,25-,26+,27+,28-/m0/s1
SMILES O=C1[C@@]2(C)[C@@]([C@@H](Cl)C[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3(O)CC[C@]4([C@](O)(C)[C@@]5([H])CC(C)=C(C)C(O5)=O)O)(O)CC=C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis peruviana Ref.
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