input word = C00049161

Metabolite InformationStructural formula
Name Fraxicarboside A
Formula C34H38O16
Mw 702.21598517
CAS RN 209851-23-0
C_ID C00049161 ,
InChIKey NRLPHLGFOVIHKP-GWHLDPKTNA-N
InChICode InChI=1S/C34H38O16/c1-45-32(44)23-16-48-33(21(10-12-35)22(23)15-28(40)46-13-11-19-4-8-24(37)25(38)14-19)50-34-31(43)30(42)29(41)26(49-34)17-47-27(39)9-5-18-2-6-20(36)7-3-18/h2-10,14,16,22,26,29-31,33-38,41-43H,11-13,15,17H2,1H3/b9-5+,21-10+/t22-,26+,29+,30-,31+,33-,34-/m0/s1
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](COC(=O)/C=C/c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/CO)[C@@H]1CC(=O)OCCc1ccc(O)c(O)c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOleaceaeFraxinus oxycarba Ref.
zoom in