input word = C00032961

Metabolite InformationStructural formula
Name Eupteleasaponin IV
Formula C57H90O24
Mw 1158.58220381
CAS RN 290809-32-4
C_ID C00032961 ,
InChIKey QTJBIADQSDPHSR-GUCZDWPBNA-N
InChICode InChI=1S/C57H90O24/c1-23-11-16-57(52(70)71)18-17-55(7)26(27(57)19-23)9-10-32-54(6)14-13-33(53(4,5)31(54)12-15-56(32,55)8)77-48-42(69)44(29(60)22-73-48)79-51-46(81-49-39(66)36(63)34(61)24(2)74-49)41(68)45(30(20-58)76-51)80-50-40(67)37(64)43(25(3)75-50)78-47-38(65)35(62)28(59)21-72-47/h9,24-25,27-51,58-69H,1,10-22H2,2-8H3,(H,70,71)/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-,54-,55+,56+,57-/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[C@@H]1OC[C@@H]([C@@H]([C@H]1O)O)O)O)O)CO)O)C)C)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEupteleaceaeEuptelea polyandra SIEB.et ZUCC Ref.
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