input word = C00005832

Metabolite InformationStructural formula
Name Acuminatoside
Formula C45H60O24
Mw 984.34745285
CAS RN 142735-71-5
C_ID C00005832 ,
InChIKey NXXVKOAEAAJROE-XANSNNFZNA-N
InChICode InChI=1S/C45H60O24/c1-15(2)6-11-20-22(63-45-41(34(57)29(52)24(14-47)65-45)69-43-36(59)32(55)28(51)23(13-46)64-43)12-21(48)25-30(53)39(37(66-38(20)25)18-7-9-19(60-5)10-8-18)67-44-40(33(56)27(50)17(4)62-44)68-42-35(58)31(54)26(49)16(3)61-42/h6-10,12,16-17,23-24,26-29,31-36,40-52,54-59H,11,13-14H2,1-5H3/t16-,17-,23-,24-,26-,27-,28+,29+,31+,32-,33+,34-,35-,36+,40-,41+,42-,43-,44-,45+/m0/s1
SMILES c1(cc(c2c(c1CC=C(C)C)oc(c(c2=O)O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)C)O)O)C)c1ccc(cc1)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O[C@H]1[C@@H]([C@H]([C@H](O)[C@@H](O1)CO)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeBerberidaceaeEpimedium acuminatum Ref.
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