input word = C00048516

Metabolite InformationStructural formula
Name Pulcherrimin E
Formula C36H38O10
Mw 630.24649744
CAS RN 627481-76-9
C_ID C00048516 ,
InChIKey FAUSVBIISDNTJL-RUYFUKPFNA-N
InChICode InChI=1S/C36H38O10/c1-20-24-16-18-43-26(24)19-25-28(20)29(44-21(2)37)30(46-32(39)23-13-9-6-10-14-23)36(42)34(25,3)17-15-27(35(36,4)33(40)41)45-31(38)22-11-7-5-8-12-22/h5-14,16,18,20,25,27-30,42H,15,17,19H2,1-4H3,(H,40,41)/t20-,25-,27-,28-,29+,30+,34+,35+,36-/m0/s1
SMILES CC(=O)O[C@@H]1[C@H]2[C@@H](C)c3ccoc3C[C@@H]2[C@@]2(C)CC[C@H](OC(=O)c3ccccc3)[C@](C)(C(=O)O)[C@]2(O)[C@@H]1OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
zoom in