input word = C00048484

Metabolite InformationStructural formula
Name Mukurozioside IIb
Mukurozioside Iib
Formula C51H86O28
Mw 1146.53056217
CAS RN 103001-34-9
C_ID C00048484 ,
InChIKey OHLBTNZSOHMDGY-RILHPDCDNA-N
InChICode InChI=1S/C51H86O28/c1-19(11-9-13-21(3)18-69-51-45(79-49-41(67)37(63)31(57)25(7)73-49)43(33(59)27(17-53)75-51)77-47-39(65)35(61)29(55)23(5)71-47)10-8-12-20(2)14-15-68-50-44(78-48-40(66)36(62)30(56)24(6)72-48)42(32(58)26(16-52)74-50)76-46-38(64)34(60)28(54)22(4)70-46/h10,13-14,22-67H,8-9,11-12,15-18H2,1-7H3/b19-10+,20-14+,21-13+/t22-,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+/m0/s1
SMILES [C@@H]1(OC/C(=C/CC/C(=C/CC/C(=C/CO[C@H]2[C@H](O[C@H]3[C@@H]([C@@H]([C@H]([C@@H](O3)C)O)O)O)[C@H]([C@@H]([C@H](O2)CO)O)O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)/C)/C)/C)O[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[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
PlantaeSapindaceaeSapindus rarak Ref.
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OrganismSapindus mukorossi
ReferenceKashi, et al., Phytochemistry, 25, (1986), 871