input word = C00059793

Metabolite InformationStructural formula
Name Pyishiauoside IIIa
Formula C50H86O28
Mw 1134.53056217
CAS RN 138329-73-4
C_ID C00059793
InChIKey XENWZCCFCCBVBW-UHFFFAOYSA-N
InChICode InChI=1S/C50H86O28/c1-19(10-8-12-21(3)17-68-50-44(78-48-40(66)36(62)30(56)24(6)72-48)41(32(58)27(16-52)74-50)75-45-37(63)31(57)25(53)18-69-45)9-7-11-20(2)13-14-67-49-43(77-47-39(65)35(61)29(55)23(5)71-47)42(33(59)26(15-51)73-49)76-46-38(64)34(60)28(54)22(4)70-46/h9,13,21-66H,7-8,10-12,14-18H2,1-6H3
SMILES CC(=CCOC1OC(CO)C(O)C(OC2OC(C)C(O)C(O)C2O)C1OC1OC(C)C(O)C(O)C1O)CCC=C(C)CCCC(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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