input word = C00057855

Metabolite InformationStructural formula
Name Tragopogonsaponin A
Formula C36H56O10
Mw 648.38734801
CAS RN 134361-64-1
C_ID C00057855
InChIKey AJLARCXOASFHQQ-UHFFFAOYSA-N
InChICode InChI=1S/C36H56O10/c1-31(2)14-15-36(30(43)44)19(16-31)18-8-9-21-33(5)12-11-23(45-29-26(40)24(38)25(39)27(46-29)28(41)42)32(3,4)20(33)10-13-34(21,6)35(18,7)17-22(36)37/h8,19-27,29,37-40H,9-17H2,1-7H3,(H,41,42)(H,43,44)
SMILES CC12CC(O)C3(C(O)=O)CCC(C)(CC3C1=CCC4C5(CCC(C(C)(C5CCC24C)C)OC6C(C(C(C(O6)C(O)=O)O)O)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTragopogon porrifolius Ref.
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