input word = C00049171

Metabolite InformationStructural formula
Name Glomeratose D
(-)-Glomeratose D
Formula C36H46O19
Mw 782.26332929
CAS RN 202471-88-3
C_ID C00049171 ,
InChIKey NCOMQTOUSWASRA-TXEGDJHZNA-N
InChICode InChI=1S/C36H46O19/c1-45-20-11-18(12-21(46-2)32(20)49-5)7-9-26(39)51-16-25-28(41)30(43)31(44)35(52-25)55-36(17-38)34(29(42)24(15-37)54-36)53-27(40)10-8-19-13-22(47-3)33(50-6)23(14-19)48-4/h7-14,24-25,28-31,34-35,37-38,41-44H,15-17H2,1-6H3/b9-7+,10-8+/t24-,25-,28-,29-,30+,31-,34+,35-,36+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@H](O[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala glomerata Ref.
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