input word = C00058816

Metabolite InformationStructural formula
Name Yuzhizioside IV
Formula C52H84O21
Mw 1044.55050975
CAS RN 157878-20-1
C_ID C00058816
InChIKey VWDQIPTYOBILKU-UHFFFAOYSA-N
InChICode InChI=1S/C52H84O21/c1-47(2)14-16-52(46(65)73-44-40(64)37(61)35(59)28(70-44)22-68-42-39(63)36(60)34(58)27(19-53)69-42)17-15-50(6)23(24(52)18-47)8-9-30-49(5)12-11-31(48(3,4)29(49)10-13-51(30,50)7)71-45-41(33(57)26(55)21-67-45)72-43-38(62)32(56)25(54)20-66-43/h8,24-45,53-64H,9-22H2,1-7H3
SMILES CC1(C)CCC2(C(=O)OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLardizabalaceaeAkebia trifoliata var. australis Ref.
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