input word = C00049172

Metabolite InformationStructural formula
Name Glomeratose E
(-)-Glomeratose E
Formula C34H40O19
Mw 752.2163791
CAS RN 202471-89-4
C_ID C00049172 ,
InChIKey FQIHRGVSSREZOH-CPXXUNOONA-N
InChICode InChI=1S/C34H40O19/c1-45-18-7-14(8-19(46-2)24(18)37)5-16-17(6-15-9-20(47-3)25(38)21(10-15)48-4)32(44)51-30-27(40)22(11-35)52-34(30,13-36)53-33-29(42)28(41)26(39)23(50-33)12-49-31(16)43/h5-10,22-23,26-30,33,35-42H,11-13H2,1-4H3/b16-5+,17-6+/t22-,23-,26+,27-,28+,29-,30+,33-,34+/m1/s1
SMILES O1[C@@H]2[C@](O[C@H]3O[C@H](COC(=O)/C(=C/c4cc(c(c(c4)OC)O)OC)/C(=C\c4cc(c(c(c4)OC)O)OC)/C1=O)[C@@H]([C@@H]([C@H]3O)O)O)(O[C@@H]([C@H]2O)CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala glomerata Ref.
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