input word = C00032111

Metabolite InformationStructural formula
Name Pastuchoside B
Formula C48H78O18
Mw 942.51881569
CAS RN 34381-97-0
C_ID C00032111 ,
InChIKey GNMXZMIENAWWKB-XMVZXXHQNA-N
InChICode InChI=1S/C48H78O18/c1-22-30(52)38(66-40-35(57)33(55)37(26(20-50)63-40)65-39-34(56)32(54)31(53)25(19-49)62-39)36(58)41(61-22)64-29-11-12-44(4)27(45(29,5)21-51)10-13-47(7)28(44)9-8-23-24-18-43(2,3)14-16-48(24,42(59)60)17-15-46(23,47)6/h8,22,24-41,49-58H,9-21H2,1-7H3,(H,59,60)/t22-,24-,25+,26-,27-,28+,29-,30-,31-,32-,33-,34-,35-,36+,37+,38+,39-,40+,41-,44-,45-,46+,47+,48-/m0/s1
SMILES C1(CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@H]1[C@@]3(CC[C@@H]([C@]1(CO)C)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O[C@H]1O[C@H]([C@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)CO)CO)O)C)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeHedera pastuchowii Ref.
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