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@H]12[C@H]([C@@]3([C@H]([C@H]([C@H]4[C@@H]1OC(=O)C4=C)OC(=O)/C(=C/C)/C)O)OC3)[C@H](C=C2C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeAgrianthus pungens Ref.
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