input word = C00057111

Metabolite InformationStructural formula
Name Physapruin B
Formula C34H50O9
Mw 602.3454832
CAS RN 155178-04-4
C_ID C00057111
InChIKey BUTLOLBCWDNVGA-GKJVHQHDSA-N
InChICode InChI=1S/C34H50O9/c1-8-9-17-41-33-13-10-11-25(36)30(33,6)23-12-14-29(5)32(39,24(23)19-27(33)42-22(4)35)15-16-34(29,40)31(7,38)26-18-20(2)21(3)28(37)43-26/h10-11,23-24,26-27,38-40H,8-9,12-19H2,1-7H3/t23-,24+,26+,27+,29-,30-,31-,32+,33-,34-/m0/s1
SMILES CCCCO[C@]12CC=CC(=O)[C@]1(C)[C@H]1CC[C@]3(C)[C@](O)([C@@](C)(O)[C@H]4CC(C)=C(C)C(=O)O4)CC[C@@]3(O)[C@@H]1C[C@H]2OC(C)=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pruinosa Ref.
zoom in