input word = C00029772

Metabolite InformationStructural formula
Name Bacopasaponin F
Bacopaside VIII
Formula C52H84O22
Mw 1060.54542437
CAS RN 267895-17-0
C_ID C00029772 ,
InChIKey KKXTYLIJLMOZCW-FLRKVPPINA-N
InChICode InChI=1S/C52H84O22/c1-22(2)14-23-15-50(7,74-43-37(62)32(57)25(56)19-65-43)42-24-8-9-30-48(5)12-11-31(47(3,4)29(48)10-13-49(30,6)51(24)20-52(42,73-23)66-21-51)70-46-41(72-44-38(63)34(59)27(17-54)68-44)40(35(60)28(18-55)69-46)71-45-39(64)36(61)33(58)26(16-53)67-45/h14,23-46,53-64H,8-13,15-21H2,1-7H3/t23-,24+,25-,26+,27-,28+,29-,30+,31-,32-,33+,34-,35+,36-,37-,38+,39+,40-,41+,42-,43+,44-,45-,46-,48-,49+,50-,51-,52-/m0/s1
SMILES CC(C)=C[C@H]1C[C@](C)(O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H]6O[C@@H]6O[C@@H](CO)[C@H](O)[C@H]6O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@@]34CO[C@@]2(C4)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePlantaginaceaeBacopa monnieri Ref.
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OrganismBacopa monnieri
ReferenceBhandari,Chem.Pharm.Bull.,54,(2006),240