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CHEBI:2578 - Alkannin

ChEBI IDCHEBI:2578
ChEBI NameAlkannin
Stars
Last Modified9 June 2016
DownloadsMolfile
FormulaC16H16O5
Net Charge0
Average Mass288.299
Monoisotopic Mass288.09977
SMILESCC(C)=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1
InChIKeyNEZONWMXZKDMKF-JTQLQIEISA-N
ChEBI Ontology
Outgoing Relation(s)
Alkannin (CHEBI:2578) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Synonym  Source
AlkanninKEGG COMPOUND
Manual XrefsDatabases
C10292KEGG COMPOUND
C00002787KNApSAcK
Registry NumbersSources
CAS:517-88-4KEGG COMPOUND