input word = C00058426

Metabolite InformationStructural formula
Name Clemastanoside G
Formula C66H106O31
Mw 1394.67180667
CAS RN 172670-50-7
C_ID C00058426
InChIKey CJQSZUKWLCZYSN-UHFFFAOYSA-N
InChICode InChI=1S/C66H106O31/c1-26-38(72)44(78)53(90-28(3)69)59(89-26)94-50-33(21-67)91-54(48(82)45(50)79)87-24-34-42(76)43(77)47(81)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)93-58-52(41(75)32(71)23-86-58)96-57-49(83)51(39(73)27(2)88-57)95-55-46(80)40(74)31(70)22-85-55/h10,26-27,30-59,67-68,70-83H,11-25H2,1-9H3
SMILES CC(=O)OC1C(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)OC(C)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRanunculaceaeClematis stans Ref.
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