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.
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