input word = C00048483

Metabolite InformationStructural formula
Name Mukurozioside IIa
Formula C51H88O28
Mw 1148.54621223
CAS RN 103001-35-0
C_ID C00048483 ,
InChIKey CEHGKENYDAWPIF-GNUCVDFRNA-N
InChICode InChI=1S/C51H88O28/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/h10,14,21-67H,8-9,11-13,15-18H2,1-7H3/b19-10+,20-14+/t21-,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 [C@H]1(OC[C@@H](CCC/C(=C/CC/C(=C/CO[C@H]2[C@@H]([C@@H]([C@H]([C@H](O2)CO)O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)C)O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)C)/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]1O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
PlantaeSapindaceaeSapindus rarak Ref.
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