input word = C00022573

Metabolite InformationStructural formula
Name Pteroniatrilactone
Formula C20H20O7
Mw 372.12090299
CAS RN 129349-96-8
C_ID C00022573 ,
InChIKey YUCRQADHPVUPRY-YRWALJFPNA-N
InChICode InChI=1S/C20H20O7/c1-10-3-5-19-16(23)26-13-8-20(19,27-14(21)17(13,19)2)18(10)7-12(25-15(18)22)11-4-6-24-9-11/h4,6,9-10,12-13H,3,5,7-8H2,1-2H3/t10-,12-,13+,17+,18+,19+,20-/m1/s1
SMILES C[C@@H]1CC[C@@]23C(=O)O[C@H]4C[C@@]2(OC(=O)[C@]43C)[C@@]12C[C@@H](c1ccoc1)OC2=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePteronia eenii Ref.
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