input word = C00035652

Metabolite InformationStructural formula
Name Hoodigoside J
(+)-Hoodigoside J
Formula C59H94O22
Mw 1154.62367469
CAS RN 946409-72-9
C_ID C00035652 ,
InChIKey AFMABPRBXOCKJG-ODGFSLHYNA-N
InChICode InChI=1S/C59H94O22/c1-13-27(2)55(66)77-43-21-37-36(59(67)19-17-35(28(3)61)58(43,59)9)15-14-33-20-34(16-18-57(33,37)8)75-45-23-39(68-10)53(30(5)72-45)80-47-24-40(69-11)52(31(6)73-47)79-44-22-38(62)51(29(4)71-44)78-46-25-41(70-12)54(32(7)74-46)81-56-50(65)49(64)48(63)42(26-60)76-56/h13-14,29-32,34-54,56,60,62-65,67H,15-26H2,1-12H3/b27-13+/t29-,30-,31-,32-,34+,35-,36-,37+,38+,39+,40+,41-,42-,43-,44+,45+,46+,47+,48-,49+,50-,51-,52-,53-,54-,56+,57+,58+,59+/m1/s1
SMILES C1[C@@H](CC2=CC[C@@H]3[C@@H]([C@]2(C1)C)C[C@H]([C@]1([C@@]3(CC[C@@H]1C(=O)C)O)C)OC(=O)/C(=C/C)/C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)OC)O[C@H]1C[C@@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@H](C1)O)O[C@H]1C[C@H]([C@@H]([C@H](O1)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)OC)C)OC)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeHoodia gordonii Ref.
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