input word = C00063883

Metabolite InformationStructural formula
Name Priverosaponin B 22-acetate
Formula C56H90O25
Mw 1162.57711843
CAS RN 144379-37-3
C_ID C00063883
InChIKey KRRMMMSUTGHBPX-FGYXROSISA-N
InChICode InChI=1S/C56H90O25/c1-22-32(61)35(64)38(67)46(73-22)80-43-37(66)34(63)25(20-58)76-48(43)78-41-40(69)42(45(70)71)79-49(44(41)81-47-39(68)36(65)33(62)24(19-57)75-47)77-30-12-13-52(7)26(51(30,5)6)10-14-53(8)27(52)11-15-56-28-16-50(3,4)18-31(74-23(2)59)55(28,21-72-56)29(60)17-54(53,56)9/h22,24-44,46-49,57-58,60-69H,10-21H2,1-9H3,(H,70,71)/t22-,24+,25+,26?,27?,28?,29+,30-,31-,32-,33+,34-,35+,36-,37-,38+,39+,40-,41-,42-,43+,44+,46-,47-,48-,49+,52-,53+,54-,55-,56-/m0/s1
SMILES CC(=O)OC1CC(C)(C)CC2C13COC21CCC2C4(C)CCC(OC5OC(C(=O)O)C(O)C(OC6OC(CO)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C5OC5OC(CO)C(O)C(O)C5O)C(C)(C)C4CCC2(C)C1(C)CC3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePrimulaceaePrimula veris Ref.
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