input word = C00045626

Metabolite InformationStructural formula
Name Albiziasaponin C
Formula C52H82O22
Mw 1058.52977431
CAS RN 164178-26-1
C_ID C00045626 ,
InChIKey PBFBKJDZKGGOJI-UMMFMSQKNA-N
InChICode InChI=1S/C52H82O22/c1-47(2)14-22-21-8-9-28-49(5)12-11-30(48(3,4)27(49)10-13-50(28,6)51(21,7)15-29(56)52(22)16-31(47)72-46(52)65)71-45-41(74-43-39(64)36(61)34(59)25(17-53)69-43)37(62)35(60)26(70-45)20-68-44-40(33(58)24(55)19-67-44)73-42-38(63)32(57)23(54)18-66-42/h8,22-45,53-64H,9-20H2,1-7H3/t22-,23+,24-,25+,26+,27-,28+,29+,30-,31-,32-,33-,34+,35+,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,49-,50+,51+,52+/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@@]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]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)O)CO[C@H]1[C@H](O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)[C@H]([C@H](CO1)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia myriophylla Ref.
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