input word = C00045627

Metabolite InformationStructural formula
Name Albiziasaponin D
(-)-Albiziasaponin D
Formula C53H82O23
Mw 1086.52468893
CAS RN 477567-70-7
C_ID C00045627 ,
InChIKey AQWASCRJKUJRIP-VKUSFHDCNA-N
InChICode InChI=1S/C53H82O23/c1-21-30(57)33(60)37(64)44(69-21)76-41-38(73-43-36(63)31(58)24(56)19-68-43)32(59)25(18-54)70-46(41)75-40-35(62)34(61)39(42(65)66)74-45(40)71-28-11-12-50(4)26(51(28,5)20-55)10-13-53(7)27(50)9-8-22-23-16-48(2)17-29(72-47(48)67)49(23,3)14-15-52(22,53)6/h8,21,23-41,43-46,54-64H,9-20H2,1-7H3,(H,65,66)/t21-,23-,24+,25+,26+,27+,28-,29+,30-,31-,32+,33+,34-,35-,36+,37+,38-,39-,40+,41+,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)CO)O)O)C(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia myriophylla Ref.
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