input word = C00050713

Metabolite InformationStructural formula
Name 3-O-Methylellagic acid 3'-O-alpha-L-rhamnopyranoside
Formula C21H18O12
Mw 462.07982604
CAS RN 352280-34-3
C_ID C00050713
InChIKey UNIJYMVRSKZTJI-GSMVLEPYNA-N
InChICode InChI=1S/C21H18O12/c1-5-12(24)13(25)14(26)21(30-5)33-16-9(23)4-7-11-10-6(20(28)32-18(11)16)3-8(22)15(29-2)17(10)31-19(7)27/h3-5,12-14,21-26H,1-2H3/t5-,12-,13+,14+,21-/m0/s1
SMILES COc1c(O)cc2c(=O)oc3c(O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)c(O)cc4c(=O)oc1c2c34
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus globulus Ref.
zoom in