input word = C00043250

Metabolite InformationStructural formula
Name Agamenoside F
Formula C56H90O28
Mw 1210.5618623
CAS RN 474122-67-3
C_ID C00043250 ,
InChIKey RSEMAGOHNBQEQZ-HUGJDINHNA-N
InChICode InChI=1S/C56H90O28/c1-20-7-10-56(74-18-20)21(2)34-28(84-56)12-26-24-6-5-22-11-23(8-9-54(22,3)25(24)13-33(62)55(26,34)4)75-50-43(71)40(68)45(32(17-60)79-50)80-53-48(47(38(66)31(16-59)78-53)82-51-42(70)39(67)36(64)29(14-57)76-51)83-52-44(72)46(37(65)30(15-58)77-52)81-49-41(69)35(63)27(61)19-73-49/h20-32,34-53,57-61,63-72H,5-19H2,1-4H3/t20-,21+,22+,23+,24-,25+,26+,27-,28+,29-,30-,31-,32-,34+,35+,36-,37-,38-,39+,40-,41-,42-,43-,44-,45+,46+,47+,48-,49+,50-,51+,52+,53+,54+,55-,56-/m1/s1
SMILES C1[C@H]2[C@H]([C@H]3[C@](C1=O)([C@@H]1[C@H](C3)O[C@]3([C@H]1C)OC[C@@H](CC3)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)CO)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAgavaceaeAgave americana Ref.
PlantaeAgavaceaePolianthes tuberosa Ref.
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OrganismPolianthes tuberosa
ReferenceJin,J.Nat.Prod.,67,(2004),5