input word = C00040174

Metabolite InformationStructural formula
Name Rubiginoside
(-)-Rubiginoside
Formula C38H64O18
Mw 808.40926524
CAS RN 244778-00-5
C_ID C00040174 ,
InChIKey DFZHNWZRMLFSMK-SWALGAJVNA-N
InChICode InChI=1S/C38H64O18/c1-17(2)9-7-10-18(3)11-8-12-19(4)13-14-49-38-34(56-37-32(48)29(45)25(41)21(6)53-37)33(55-36-30(46)26(42)22(39)15-50-36)27(43)23(54-38)16-51-35-31(47)28(44)24(40)20(5)52-35/h9,11,13,20-48H,7-8,10,12,14-16H2,1-6H3/b18-11+,19-13+/t20-,21-,22-,23+,24-,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-,37-,38+/m0/s1
SMILES [C@H]1([C@H]([C@@H]([C@H](O[C@H]1OC/C=C(/CC/C=C(/CCC=C(C)C)\C)\C)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeLepisanthes rubiginosa Ref.
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