input word = C00058252

Metabolite InformationStructural formula
Name Udosaponin D
Formula C41H64O14
Mw 780.42960675
CAS RN 89837-88-7
C_ID C00058252
InChIKey JFKRFKYPGZLDFE-UHFFFAOYSA-N
InChICode InChI=1S/C41H64O14/c1-36(2)13-15-41(35(50)51)16-14-39(5)20(21(41)17-36)7-8-24-37(3)11-10-25(38(4,19-42)23(37)9-12-40(24,39)6)53-34-29(47)27(45)30(31(55-34)32(48)49)54-33-28(46)26(44)22(43)18-52-33/h7,21-31,33-34,42-47H,8-19H2,1-6H3,(H,48,49)(H,50,51)
SMILES CC12C3CC=C4C(CCC5(C(O)=O)C4CC(C)(C)CC5)(C)C3(C)CCC1C(C)(CO)C(CC2)OC6C(O)C(C(OC7C(O)C(O)C(O)CO7)C(O6)C(O)=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia cordata Ref.
zoom in