input word = C00058425

Metabolite InformationStructural formula
Name Clemastanoside F
Formula C66H106O31
Mw 1394.67180667
CAS RN 172670-49-4
C_ID C00058425
InChIKey PEOZIMAHNOQVMU-UHFFFAOYSA-N
InChICode InChI=1S/C66H106O31/c1-26-38(72)51(90-28(3)69)48(82)57(88-26)94-50-33(21-67)91-54(47(81)44(50)78)87-24-34-42(76)43(77)46(80)56(92-34)97-60(84)66-18-16-61(4,5)20-30(66)29-10-11-36-62(6)14-13-37(63(7,25-68)35(62)12-15-65(36,9)64(29,8)17-19-66)93-59-53(41(75)32(71)23-86-59)96-58-49(83)52(39(73)27(2)89-58)95-55-45(79)40(74)31(70)22-85-55/h10,26-27,30-59,67-68,70-83H,11-25H2,1-9H3
SMILES CC(=O)OC1C(O)C(C)OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(OC8OCC(O)C(O)C8OC8OC(C)C(O)C(OC9OCC(O)C(O)C9O)C8O)C(C)(CO)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeClematis stans Ref.
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