input word = C00058424

Metabolite InformationStructural formula
Name Clemastanoside E
Formula C66H106O31
Mw 1394.67180667
CAS RN 172670-48-3
C_ID C00058424
InChIKey LGZZYIYHMUVJJM-UHFFFAOYSA-N
InChICode InChI=1S/C66H106O31/c1-26-38(72)52(95-55-45(79)39(73)31(70)22-85-55)49(83)58(88-26)96-53-40(74)32(71)23-86-59(53)93-37-13-14-62(6)35(63(37,7)25-68)12-15-65(9)36(62)11-10-29-30-20-61(4,5)16-18-66(30,19-17-64(29,65)8)60(84)97-57-46(80)42(76)41(75)34(92-57)24-87-54-47(81)44(78)51(33(21-67)91-54)94-56-48(82)43(77)50(27(2)89-56)90-28(3)69/h10,26-27,30-59,67-68,70-83H,11-25H2,1-9H3
SMILES CC(=O)OC1C(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)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeClematis stans Ref.
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