input word = C00021092

Metabolite InformationStructural formula
Name Ligulatin C
Formula C19H26O6
Mw 350.17293856
CAS RN 65179-91-1
C_ID C00021092 ,
InChIKey QXHYURXSMDXAIX-OLRIYAHLNA-N
InChICode InChI=1S/C19H26O6/c1-10-5-6-14-11(2)18(22)25-17(14)19(9-23-12(3)20)15(10)7-8-16(19)24-13(4)21/h10,14-17H,2,5-9H2,1,3-4H3/t10-,14-,15-,16-,17+,19-/m0/s1
SMILES [C@@H]12[C@]([C@H]3[C@@H](CC[C@@H]1C)C(=C)C(=O)O3)([C@H](CC2)OC(=O)C)COC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeParthenium tomentosum Ref.
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