input word = C00058420

Metabolite InformationStructural formula
Name Clemastanoside A
Formula C66H106O30
Mw 1378.67689205
CAS RN 172670-44-9
C_ID C00058420
InChIKey GDDKEQYOQBELQH-UHFFFAOYSA-N
InChICode InChI=1S/C66H106O30/c1-26-38(71)52(94-55-45(78)39(72)31(69)23-84-55)49(82)58(87-26)95-53-40(73)32(70)24-85-59(53)92-37-14-15-63(8)35(62(37,6)7)13-16-65(10)36(63)12-11-29-30-21-61(4,5)17-19-66(30,20-18-64(29,65)9)60(83)96-57-46(79)42(75)41(74)34(91-57)25-86-54-47(80)44(77)51(33(22-67)90-54)93-56-48(81)43(76)50(27(2)88-56)89-28(3)68/h11,26-27,30-59,67,69-82H,12-25H2,1-10H3
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)(C)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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