input word = C00059795

Metabolite InformationStructural formula
Name Pyishiauoside IVb
Formula C49H82O28
Mw 1118.49926204
CAS RN 138382-87-3
C_ID C00059795
InChIKey HXKUTXGDCDCFCG-UHFFFAOYSA-N
InChICode InChI=1S/C49H82O28/c1-19(9-7-11-21(3)16-67-49-43(77-47-39(65)35(61)29(55)23(5)71-47)41(33(59)27(15-51)73-49)75-45-37(63)31(57)25(53)18-69-45)8-6-10-20(2)12-13-66-48-42(76-46-38(64)34(60)28(54)22(4)70-46)40(32(58)26(14-50)72-48)74-44-36(62)30(56)24(52)17-68-44/h8,11-12,22-65H,6-7,9-10,13-18H2,1-5H3
SMILES CC(=CCCC(C)=CCOC1OC(CO)C(O)C(OC2OCC(O)C(O)C2O)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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