input word = C00058432

Metabolite InformationStructural formula
Name Clemontanoside F
Formula C54H88O22
Mw 1088.5767245
CAS RN 154278-77-0
C_ID C00058432
InChIKey KVSXTGWXFLGTCE-UHFFFAOYSA-N
InChICode InChI=1S/C54H88O22/c1-23-32(57)36(61)41(66)45(70-23)75-43-39(64)35(60)28(22-69-44-40(65)37(62)33(58)26(20-55)71-44)73-47(43)76-48(68)54-17-15-49(2,3)19-25(54)24-9-10-30-51(6)13-12-31(74-46-42(67)38(63)34(59)27(21-56)72-46)50(4,5)29(51)11-14-53(30,8)52(24,7)16-18-54/h9,23,25-47,55-67H,10-22H2,1-8H3
SMILES CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(CO)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)OC(COC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeClematis montana Ref.
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