input word = C00050168

Metabolite InformationStructural formula
Name Mezzettiaside 4
Formula C38H64O17
Mw 792.41435062
CAS RN 135091-79-1
C_ID C00050168 ,
InChIKey UWRBANIXXKCENR-IWMPTURYNA-N
InChICode InChI=1S/C38H64O17/c1-9-11-13-14-15-17-19-46-36-29(45)33(31(21(4)47-36)53-26(42)18-16-12-10-2)54-38-35(52-25(8)41)34(32(22(5)49-38)51-24(7)40)55-37-28(44)27(43)30(20(3)48-37)50-23(6)39/h20-22,27-38,43-45H,9-19H2,1-8H3/t20-,21-,22-,27-,28+,29+,30-,31-,32-,33-,34+,35+,36+,37-,38-/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](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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OrganismMezzettia leptopoda
ReferenceCui,J.Nat.Prod.,61,(1998),1535