input word = C00005973

Metabolite InformationStructural formula
Name Variabiloside E
Formula C36H36O18
Mw 756.19016435
CAS RN 115713-35-4
C_ID C00005973 ,
InChIKey HLWFQXZBFQLASS-GJRGZODANA-N
InChICode InChI=1S/C36H36O18/c1-14-26(43)28(45)30(47)35(50-14)49-13-23-33(53-24(42)9-4-15-2-6-17(37)7-3-15)29(46)31(48)36(52-23)54-34-27(44)25-21(41)11-18(38)12-22(25)51-32(34)16-5-8-19(39)20(40)10-16/h2-12,14,23,26,28-31,33,35-41,43,45-48H,13H2,1H3/b9-4+/t14-,23-,26-,28-,29+,30+,31-,33-,35+,36-/m0/s1
SMILES CC1O[C@@H](OCC2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)C(O)C(O)[C@H]2OC(=O)/C=C/c2ccc(O)cc2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLonganiaceaeStrychnos variabilis Ref.
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