input word = C00032959

Metabolite InformationStructural formula
Name Eupteleasaponin II
(+)-Eupteleasaponin II
Formula C58H92O25
Mw 1188.59276849
CAS RN 290809-30-2
C_ID C00032959 ,
InChIKey XXZQNKJMRPQLND-GCEBLQFGNA-N
InChICode InChI=1S/C58H92O25/c1-23-11-16-58(53(73)83-51-42(70)39(67)36(64)29(20-59)77-51)18-17-56(7)26(27(58)19-23)9-10-32-55(6)14-13-33(54(4,5)31(55)12-15-57(32,56)8)79-48-44(72)45(28(61)22-74-48)80-52-47(82-50-41(69)38(66)35(63)25(3)76-50)43(71)46(30(21-60)78-52)81-49-40(68)37(65)34(62)24(2)75-49/h9,24-25,27-52,59-72H,1,10-22H2,2-8H3/t24-,25-,27-,28+,29+,30+,31-,32+,33-,34-,35-,36-,37+,38+,39-,40+,41+,42+,43-,44+,45-,46-,47+,48-,49-,50-,51-,52-,55-,56+,57+,58-/m0/s1
SMILES C1(=C)CC[C@]2([C@@H](C1)C1=CC[C@H]3[C@]([C@@]1(CC2)C)(CC[C@@H]1[C@@]3(CC[C@@H](C1(C)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)CO)O)C)C)C(=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEupteleaceaeEuptelea polyandra SIEB.et ZUCC Ref.
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