input word = C00058367

Metabolite InformationStructural formula
Name Araliasaponin XI
Formula C53H86O22
Mw 1074.56107443
CAS RN 175556-06-6
C_ID C00058367
InChIKey SLWBRRUQOCIWDM-UHFFFAOYSA-N
InChICode InChI=1S/C53H86O22/c1-22-10-15-53(48(67)75-46-41(66)38(63)35(60)27(19-55)70-46)17-16-51(6)24(32(53)23(22)2)8-9-30-50(5)13-12-31(49(3,4)29(50)11-14-52(30,51)7)72-47-43(74-44-39(64)33(58)25(57)21-68-44)42(36(61)28(20-56)71-47)73-45-40(65)37(62)34(59)26(18-54)69-45/h8,22-23,25-47,54-66H,9-21H2,1-7H3
SMILES CC1CCC2(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(OC7OC(CO)C(O)C(O)C7O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia decaisneana Ref.
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