input word = C00055394

Metabolite InformationStructural formula
Name Asparagoside B
Formula C33H56O9
Mw 596.39243339
CAS RN 60237-69-6
C_ID C00055394
InChIKey FBJYDOQUXQMQSS-TXUJEBAWSA-N
InChICode InChI=1S/C33H56O9/c1-17(16-40-30-29(38)28(37)27(36)25(15-34)41-30)7-12-33(39)18(2)26-24(42-33)14-23-21-6-5-19-13-20(35)8-10-31(19,3)22(21)9-11-32(23,26)4/h17-30,34-39H,5-16H2,1-4H3/t17-,18-,19+,20-,21+,22-,23-,24-,25+,26-,27+,28-,29+,30+,31-,32-,33+/m0/s1
SMILES C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsparagaceaeAsparagus officinalis Ref.
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OrganismAsparagus officinalis
ReferenceTschesche, R. et al., Chem. Ber., 1969, 102, 1253-1269

1972, 105, 3397-3406 (Sarsaparilloside, Lanatigoside)