input word = C00050167

Metabolite InformationStructural formula
Name Mezzettiaside 3
Formula C40H66O18
Mw 834.42491531
CAS RN 129832-67-3
C_ID C00050167 ,
InChIKey DBTGYAVTHIAQRY-YETVISBJNA-N
InChICode InChI=1S/C40H66O18/c1-10-12-14-15-16-18-20-48-38-29(46)35(32(22(4)49-38)56-28(45)19-17-13-11-2)57-40-37(55-27(9)44)36(33(23(5)51-40)53-25(7)42)58-39-30(47)34(54-26(8)43)31(21(3)50-39)52-24(6)41/h21-23,29-40,46-47H,10-20H2,1-9H3/t21-,22-,23-,29+,30+,31-,32-,33-,34-,35-,36+,37+,38+,39-,40-/m0/s1
SMILES CCCCCCCCO[C@@H]1O[C@@H](C)[C@H](OC(=O)CCCCC)[C@@H](O[C@@H]2O[C@@H](C)[C@H](OC(C)=O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]3O)[C@H]2OC(C)=O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mezzettia leptopoda Ref.
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