input word = C00045624

Metabolite InformationStructural formula
Name Albiziasaponin A
(-)-Albiziasaponin A
Formula C46H72O17
Mw 896.47695088
CAS RN 164178-24-9
C_ID C00045624 ,
InChIKey PVLIPPHITNPLBJ-JMQAPZJYNA-N
InChICode InChI=1S/C46H72O17/c1-41(2)14-21-20-8-9-26-43(5)12-11-28(42(3,4)25(43)10-13-44(26,6)45(20,7)15-27(49)46(21)16-29(41)62-40(46)56)61-38-35(55)33(53)32(52)24(60-38)19-59-39-36(31(51)23(48)18-58-39)63-37-34(54)30(50)22(47)17-57-37/h8,21-39,47-55H,9-19H2,1-7H3/t21-,22+,23+,24+,25-,26+,27+,28-,29-,30-,31+,32+,33-,34+,35+,36-,37-,38-,39+,43-,44+,45+,46+/m0/s1
SMILES CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)C(O)[C@H]7O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)C(O)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)C[C@@H](O)[C@@]23C[C@@H]1OC3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAlbizia lebbeck Ref.
PlantaeFabaceaeAlbizia mollis Ref.
PlantaeFabaceaeAlbizia myriophylla Ref.
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