input word = C00045625

Metabolite InformationStructural formula
Name Albiziasaponin B
Formula C48H74O18
Mw 938.48751556
CAS RN 164178-25-0
C_ID C00045625 ,
InChIKey IGUMKDPFGXLXSS-UHFFFAOYNA-N
InChICode InChI=1S/C47H74O18/c1-42(2)14-21-20-8-9-26-44(5)12-11-28(43(3,4)25(44)10-13-45(26,6)46(20,7)15-27(50)47(21)16-29(42)64-41(47)58)63-40-37(65-39-36(57)33(54)31(52)23(17-48)61-39)34(55)32(53)24(62-40)19-60-38-35(56)30(51)22(49)18-59-38/h8,21-40,48-57H,9-19H2,1-7H3/t21-,22-,23+,24+,25+,26+,27-,28-,29+,30+,31-,32+,33+,34-,35-,36-,37+,38+,39+,40-,44-,45-,46+,47-/m1/s1
SMILES C1[C@H](C([C@H]2[C@@](C1)([C@H]1[C@@](CC2)([C@@]2(C(=CC1)[C@@H]1[C@@]3([C@@H](C2)O)C[C@@H](C(C1)(C)C)OC3=O)C)C)C)(C)C)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)CO)O)O)O)O)O)CO[C@@H]1OC[C@H]([C@@H]([C@H]1O)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