input word = C00033418

Metabolite InformationStructural formula
Name Telephiose B
(-)-Telephiose B
Formula C36H44O20
Mw 796.24259385
CAS RN 297749-30-5
C_ID C00033418 ,
InChIKey AJQAKIHZLZOMSV-XQERCOEFNA-N
InChICode InChI=1S/C36H44O20/c1-17(39)48-15-23-24(41)26(43)27(44)34(51-23)53-30-28(45)29(52-32(46)19-9-5-3-6-10-19)22(14-38)50-35(30)56-36(16-49-18(2)40)31(25(42)21(13-37)55-36)54-33(47)20-11-7-4-8-12-20/h3-12,21-31,34-35,37-38,41-45H,13-16H2,1-2H3/t21-,22-,23-,24+,25-,26+,27-,28+,29+,30-,31+,34+,35-,36+/m1/s1
SMILES [C@@H]1(O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)COC(=O)C)O)O)O)O)OC(=O)c1ccccc1)CO)O[C@@]1(O[C@@H]([C@H]([C@@H]1OC(=O)c1ccccc1)O)CO)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala telephioides WILLD. Ref.
zoom in