input word = C00032958

Metabolite InformationStructural formula
Name Eupteleasaponin I
(+)-Eupteleasaponin I
Formula C52H82O21
Mw 1042.53485968
CAS RN 290809-29-9
C_ID C00032958 ,
InChIKey JYWXPMGCCNBCKM-KEMUKDAMNA-N
InChICode InChI=1S/C52H82O21/c1-22-10-15-52(47(65)73-45-39(63)36(60)33(57)27(19-53)68-45)17-16-50(6)24(25(52)18-22)8-9-30-49(5)13-12-31(48(3,4)29(49)11-14-51(30,50)7)70-43-40(64)41(26(55)21-66-43)71-46-42(37(61)34(58)28(20-54)69-46)72-44-38(62)35(59)32(56)23(2)67-44/h8,23,25-46,53-64H,1,9-21H2,2-7H3/t23-,25-,26+,27+,28+,29-,30+,31-,32-,33-,34-,35+,36-,37-,38+,39+,40+,41-,42+,43-,44-,45-,46-,49-,50+,51+,52-/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)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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