input word = C00057856

Metabolite InformationStructural formula
Name Tragopogonsaponin K
Formula C50H72O15
Mw 912.48712163
CAS RN 134361-71-0
C_ID C00057856
InChIKey MTYGCVPOKVNXNH-XNTDXEJSSA-N
InChICode InChI=1S/C50H72O15/c1-45(2)20-21-50(29(22-45)28-13-14-33-47(5)18-17-34(54)46(3,4)32(47)16-19-48(33,6)49(28,7)23-35(50)55)44(60)65-43-41(63-36(56)15-10-26-8-11-27(52)12-9-26)40(30(53)25-61-43)64-42-39(59)38(58)37(57)31(24-51)62-42/h8-13,15,29-35,37-43,51-55,57-59H,14,16-25H2,1-7H3/b15-10+
SMILES CC1(C)CCC2(C(=O)OC3OCC(O)C(OC4OC(CO)C(O)C(O)C4O)C3OC(=O)/C=C/c3ccc(O)cc3)C(O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTragopogon porrifolius Ref.
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