input word = C00060986

Metabolite InformationStructural formula
Name Mukuroziosides IId
Formula C47H80O25
Mw 1044.49886811
CAS RN 2361289-94-1
C_ID C00060986
InChIKey YPTDFQKQBQFJNV-HIOMHXDBSA-N
InChICode InChI=1S/C47H80O25/c1-19(11-9-13-21(3)17-64-46-41(36(58)31(53)26(16-48)68-46)71-44-38(60)34(56)29(51)23(5)66-44)10-8-12-20(2)14-15-62-47-42(72-45-39(61)35(57)30(52)24(6)67-45)40(32(54)27(69-47)18-63-25(7)49)70-43-37(59)33(55)28(50)22(4)65-43/h10,14,21-24,26-48,50-61H,8-9,11-13,15-18H2,1-7H3/b19-10+,20-14+/t21?,22-,23-,24-,26+,27+,28-,29-,30-,31+,32+,33+,34+,35+,36-,37+,38+,39+,40-,41+,42+,43-,44-,45-,46+,47+/m0/s1
SMILES CC(=O)OCC1OC(OCC=C(C)CCC=C(C)CCCC(C)COC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C(OC2OC(C)C(O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
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