input word = C00021059

Metabolite InformationStructural formula
Name Gaillardipinnatin
Formula C19H22O7
Mw 362.13655306
CAS RN 53915-42-7
C_ID C00021059 ,
InChIKey HASLHYVOAVRCIX-JPPZJMHLNA-N
InChICode InChI=1S/C19H22O7/c1-8-12-6-7-13(22)19(12,5)17(25-11(4)21)14-9(2)18(23)26-16(14)15(8)24-10(3)20/h6-8,12,14-17H,2H2,1,3-5H3/t8-,12?,14+,15+,16+,17-,19-/m0/s1
SMILES [C@@H]12[C@]([C@H]([C@H]3[C@H]([C@@H]([C@H]1C)OC(=O)C)OC(=O)C3=C)OC(=O)C)(C(=O)C=C2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGaillardia amblyodon Ref.
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