input word = C00050166

Metabolite InformationStructural formula
Name Mezzettiaside 2
Formula C40H66O18
Mw 834.42491531
CAS RN 135091-78-0
C_ID C00050166 ,
InChIKey SXBDWFAPSSAIPL-OKSFURJBNA-N
InChICode InChI=1S/C40H66O18/c1-10-12-14-15-16-18-20-48-38-30(47)34(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)58-39-35(54-26(8)43)29(46)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 [C@H]1([C@H]([C@H]([C@@H](O[C@H]1C)O[C@H]1[C@@H](OC(=O)C)[C@@H](O[C@H]([C@@H]1OC(=O)C)C)O[C@@H]1[C@H]([C@@H](O[C@H]([C@@H]1O)OCCCCCCCC)C)OC(=O)CCCCC)OC(=O)C)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mezzettia leptopoda Ref.
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