input word = C00044331

Metabolite InformationStructural formula
Name Succulentoside E
Formula C45H76O16
Mw 872.51333638
CAS RN 214059-25-3
C_ID C00044331 ,
InChIKey XLPWHCKLGKFHCL-DEHRKWKJNA-N
InChICode InChI=1S/C45H76O16/c1-40(2)28(60-39-34(54)35(24(49)19-58-39)61-38-33(53)31(51)23(48)18-57-38)12-14-43(6)27-10-9-26-42(5)13-11-20(41(3,4)55)29(42)25(59-37-32(52)30(50)22(47)17-56-37)16-45(26,8)44(27,7)15-21(46)36(40)43/h20-39,46-55H,9-19H2,1-8H3/t20-,21-,22+,23+,24-,25-,26+,27+,28-,29+,30-,31-,32+,33+,34+,35-,36-,37-,38-,39-,42+,43+,44+,45+/m0/s1
SMILES [C@@H]1([C@@H](CO[C@H]([C@@H]1O)O[C@H]1C[C@@]2([C@@H]([C@@]3([C@@H]1[C@H](CC3)C(C)(O)C)C)CC[C@H]1[C@]2(C[C@@H]([C@@H]2[C@@]1(CC[C@@H](C2(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C)O)C)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCaryophyllaceaePolycarpon succulentum Ref.
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