input word = C00060982

Metabolite InformationStructural formula
Name Pyishiauoside IVc
Formula C45H76O25
Mw 1016.46756798
CAS RN 2361289-90-7
C_ID C00060982
InChIKey WPKXKOHQAKVGAT-AAPCGXLMSA-N
InChICode InChI=1S/C45H76O25/c1-18(9-7-11-20(3)17-62-44-39(34(57)29(52)24(15-47)66-44)69-41-35(58)31(54)26(49)21(4)63-41)8-6-10-19(2)12-13-61-45-40(70-42-36(59)32(55)27(50)22(5)64-42)38(30(53)25(16-48)67-45)68-43-37(60)33(56)28(51)23(14-46)65-43/h8,11-12,21-60H,6-7,9-10,13-17H2,1-5H3/b18-8+,19-12+,20-11+/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+/m0/s1
SMILES CC(=CCCC(C)=CCOC1OC(CO)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(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.
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