input word = C00029371

Metabolite InformationStructural formula
Name 2-Acetylfuran
Formula C6H6O2
Mw 110.03677944
CAS RN 1192-62-7
C_ID C00029371 ,
InChIKey KLFJSYOEEYWQMR-RNZRUAGMNA-N
InChICode InChI=1S/C21H18N2O5/c1-3-21(26)15-8-17-18-12(6-11-7-13(27-2)4-5-16(11)22-18)9-23(17)19(24)14(15)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1
SMILES O1C(=O)[C@@](c2c(C1)c(=O)n1c(c2)c2c(C1)cc1c(n2)ccc(c1)OC)(CC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeBrassica hirta Ref.
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