input word = C00048481

Metabolite InformationStructural formula
Name Mukurozioside Ia
Formula C45H78O24
Mw 1002.48830342
CAS RN 103001-37-2
C_ID C00048481 ,
InChIKey JSYYAMDDWSARPO-RPSHFMPKNA-N
InChICode InChI=1S/C45H78O24/c1-18(10-8-12-20(3)17-61-44-39(34(56)29(51)24(15-46)65-44)68-42-36(58)32(54)27(49)22(5)63-42)9-7-11-19(2)13-14-60-45-40(69-43-37(59)33(55)28(50)23(6)64-43)38(30(52)25(16-47)66-45)67-41-35(57)31(53)26(48)21(4)62-41/h9,13,20-59H,7-8,10-12,14-17H2,1-6H3/b18-9+,19-13+/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-/m1/s1
SMILES C/C(=CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CC/C=C(C)CCCC(C)COC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSapindaceaeSapindus mukorossi Ref.
PlantaeSapindaceaeSapindus rarak Ref.
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