input word = C00060983

Metabolite InformationStructural formula
Name Pyishiauoside IVe
Formula C44H74O24
Mw 986.4570033
CAS RN 2361289-91-8
C_ID C00060983
InChIKey DNBQQXMQVYVJBW-FAAUDIFDSA-N
InChICode InChI=1S/C44H74O24/c1-18(8-6-10-19(2)12-13-59-43-38(33(55)29(51)24(14-45)64-43)67-41-35(57)31(53)26(48)21(4)62-41)9-7-11-20(3)16-60-44-39(68-42-36(58)32(54)27(49)22(5)63-42)37(30(52)25(15-46)65-44)66-40-34(56)28(50)23(47)17-61-40/h8,11-12,21-58H,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+/m0/s1
SMILES CC(=CCCC(C)=CCOC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)COC1OC(CO)C(O)C(OC2OCC(O)C(O)C2O)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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