input word = C00042133

Metabolite InformationStructural formula
Name 3-O-Acetylniduloic acid
Formula C13H16O5
Mw 252.09977362
CAS RN 864467-49-2
C_ID C00042133 ,
InChIKey XCHKWGBIYWPJOT-STGVRZAANA-N
InChICode InChI=1S/C13H16O5/c1-9(14)18-12(8-13(16)17)7-4-10-2-5-11(15)6-3-10/h2-3,5-6,12,15H,4,7-8H2,1H3,(H,16,17)/t12-/m0/s1
SMILES CC(=O)O[C@@H](CCc1ccc(O)cc1)CC(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVittariaceaeVittaria anguste-elongata Ref.
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