input word = C00032968

Metabolite InformationStructural formula
Name Eupteleasaponin XI
(+)-Eupteleasaponin XI
Formula C53H86O20
Mw 1042.57124519
CAS RN 290809-57-3
C_ID C00032968 ,
InChIKey MQLAOCBEOPTFHR-AQHFJIKINA-N
InChICode InChI=1S/C53H86O20/c1-23-32(56)34(58)36(60)44(67-23)72-41-28(21-54)69-46(42(38(41)62)73-45-37(61)35(59)33(57)24(2)68-45)71-40-27(55)22-66-43(39(40)63)70-31-13-14-50(7)29(49(31,5)6)12-15-52(9)30(50)11-10-25-26-20-48(3,4)16-18-53(26,47(64)65)19-17-51(25,52)8/h10,23-24,26-46,54-63H,11-22H2,1-9H3,(H,64,65)/t23-,24-,26-,27+,28+,29-,30+,31-,32-,33-,34+,35+,36+,37+,38-,39+,40-,41+,42+,43-,44-,45-,46-,50-,51+,52+,53-/m0/s1
SMILES C1(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]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[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)O)C)C)C(=O)O)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEupteleaceaeEuptelea polyandra SIEB.et ZUCC Ref.
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