input word = C00045628

Metabolite InformationStructural formula
Name Albiziasaponin E
(-)-Albiziasaponin E
Formula C53H80O24
Mw 1100.50395349
CAS RN 477567-72-9
C_ID C00045628 ,
InChIKey XKQFVUQOPLFZGL-PFNMLWFSNA-N
InChICode InChI=1S/C53H80O24/c1-20-28(56)30(58)34(62)44(70-20)77-40-36(73-43-33(61)29(57)23(55)18-69-43)35(63)38(42(66)67)75-46(40)76-39-32(60)31(59)37(41(64)65)74-45(39)71-26-11-12-50(4)24(51(26,5)19-54)10-13-53(7)25(50)9-8-21-22-16-48(2)17-27(72-47(48)68)49(22,3)14-15-52(21,53)6/h8,20,22-40,43-46,54-63H,9-19H2,1-7H3,(H,64,65)(H,66,67)/t20-,22?,23+,24+,25+,26-,27+,28-,29-,30+,31-,32-,33+,34+,35-,36-,37-,38-,39+,40+,43-,44-,45+,46-,48+,49+,50+,51+,52+,53+/m0/s1
SMILES C1[C@@H]([C@@]([C@H]2[C@@](C1)([C@@H]1[C@@](CC2)([C@]2(C(=CC1)[C@H]1[C@@](CC2)([C@H]2C[C@@](C1)(C(=O)O2)C)C)C)C)C)(CO)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)O)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia myriophylla Ref.
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OrganismAlbizia myriophylla
ReferenceYoshikawa,J.Nat.Prod.,65,(2002),1638