input word = C00058640

Metabolite InformationStructural formula
Name Oregonoside B
Formula C33H38O14
Mw 658.22615592
CAS RN 213817-27-7
C_ID C00058640
InChIKey CKFILZQQPAFMDJ-WDKLGUPCSA-N
InChICode InChI=1S/C33H38O14/c1-44-27-14-19(6-11-24(27)37)32(43)45-16-28-29(40)30(41)31(42)33(47-28)46-21(8-3-18-5-10-23(36)26(39)13-18)15-20(34)7-2-17-4-9-22(35)25(38)12-17/h4-6,9-14,21,28-31,33,35-42H,2-3,7-8,15-16H2,1H3/t21-,28+,29+,30-,31+,33+/m0/s1
SMILES COc1cc(C(=O)OC[C@H]2O[C@@H](O[C@@H](CCc3ccc(O)c(O)c3)CC(=O)CCc3ccc(O)c(O)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBetulaceaeAlnus rubra Ref.
zoom in