input word = C00031541

Metabolite InformationStructural formula
Name 26-O-beta-D-glucopyranosyl-(25R)-3beta,22xi,26-trihydroxy-5alpha-furostane 3-O-beta-chacotrioside
Formula C51H86O22
Mw 1050.56107443
CAS RN 723341-15-9
C_ID C00031541 ,
InChIKey GHSUIFMSMQVPPS-RCLJNFDANA-N
InChICode InChI=1S/C51H86O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h20-48,52-64H,7-19H2,1-6H3/t20-,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-,46+,47+,48-,49+,50+,51-/m1/s1
SMILES C1[C@@H](C[C@H]2[C@](C1)([C@@H]1[C@@H](CC2)[C@H]2[C@](CC1)([C@@H]1[C@H](C2)O[C@]([C@H]1C)(O)CC[C@H](CO[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)C)C)C)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium tuberosum Ref.
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