input word = C00054918

Metabolite InformationStructural formula
Name Ceposide D
Formula C56H90O26
Mw 1178.57203305
CAS RN 122018-50-2
C_ID C00054918
InChIKey ZMXQNYSKYBAHKJ-UHFFFAOYSA-N
InChICode InChI=1S/C56H90O26/c1-21-8-13-56(72-19-21)22(2)34-30(82-56)15-28-26-7-6-24-14-25(9-11-54(24,4)27(26)10-12-55(28,34)5)74-52-47(35(61)29(60)20-71-52)80-49-44(70)41(67)45(23(3)73-49)78-53-48(81-51-43(69)40(66)37(63)32(17-58)76-51)46(38(64)33(18-59)77-53)79-50-42(68)39(65)36(62)31(16-57)75-50/h6,21-23,25-53,57-70H,7-20H2,1-5H3
SMILES CC1CCC2(OC1)OC1CC3C4CC=C5CC(OC6OCC(O)C(O)C6OC6OC(C)C(OC7OC(CO)C(O)C(OC8OC(CO)C(O)C(O)C8O)C7OC7OC(CO)C(O)C(O)C7O)C(O)C6O)CCC5(C)C4CCC3(C)C1C2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
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