input word = C00063405

Metabolite InformationStructural formula
Name (3beta,5beta,22alpha,25R)-26-(beta-D-Glucopyranosyloxy)-22-hydroxyfurostan-3-yl 4-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Formula C45H76O18
Mw 904.50316563
CAS RN 927890-95-7
C_ID C00063405
InChIKey BVEZUEKINAKLPN-AOTZJWQISA-N
InChICode InChI=1S/C45H76O18/c1-19(18-57-40-36(53)34(51)32(49)28(16-46)60-40)8-13-45(56)20(2)30-27(63-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)59-42-38(55)35(52)39(29(17-47)61-42)62-41-37(54)33(50)31(48)21(3)58-41/h19-42,46-56H,6-18H2,1-5H3/t19-,20+,21+,22-,23+,24-,25+,26+,27+,28-,29-,30+,31+,32-,33-,34+,35-,36-,37-,38-,39-,40-,41+,42-,43+,44+,45-/m1/s1
SMILES CC(CCC1(O)OC2CC3C4CCC5CC(OC6OC(CO)C(OC7OC(C)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C2C1C)COC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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