input word = C00055238

Metabolite InformationStructural formula
Name Bifurcose
Formula C24H42O21
Mw 666.22185841
CAS RN 3568-31-8
C_ID C00055238
InChIKey MMYFQTWHKPSUDE-DLQNOBSRSA-N
InChICode InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1
SMILES OC[C@H]1O[C@@](CO)(OC[C@H]2O[C@@](CO[C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePoaceaeHordeum vulgare Ref.
PlantaePoaceaePanicum miliaceum Ref.
zoom in



OrganismHordeum vulgare
ReferenceSchlubach, H.H. et al., Annalen, 1958, 614, 126

1963, 665, 191

1964, 677, 165 (isol)