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 CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(OC)ccc3nc2-1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAlliaceaeAllium cepa Ref.
PlantaeCruciferaeBrassica hirta Ref.
PlantaeLabiataePerilla frutescens Ref.
PlantaeSolanaceaeNicotiana tabacum Ref.
PlantaeSolanaceaeSolanum lycopersicum Ref.
PlantaeTheaceaeCamellia sinensis Ref.
--Caffea sp. Ref.
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OrganismBrassica hirta
ReferenceMiyazawa,J.Nat.Med.,60,(2006),89