input word = C00020698

Metabolite InformationStructural formula
Name Agriantholide
Formula C20H24O7
Mw 376.15220312
CAS RN 76461-22-8
C_ID C00020698 ,
InChIKey ZDNNJCOUNKNSGH-LBKJEZCONA-N
InChICode InChI=1S/C20H24O7/c1-5-8(2)18(23)27-16-13-10(4)19(24)26-15(13)12-9(3)6-11(21)14(12)20(7-25-20)17(16)22/h5-6,11-17,21-22H,4,7H2,1-3H3/b8-5+/t11-,12-,13+,14+,15+,16-,17-,20-/m0/s1
SMILES C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)[C@H](O)[C@]1(CO1)[C@H]1[C@@H]2C(C)=C[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgrianthus pungens Ref.
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