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CHEBI:81069 - Acetylshikonin

ChEBI IDCHEBI:81069
ChEBI NameAcetylshikonin
Stars
Last Modified9 June 2016
DownloadsMolfile
FormulaC18H18O6
Net Charge0
Average Mass330.336
Monoisotopic Mass330.11034
SMILESCC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C18H18O6/c1-9(2)4-7-15(24-10(3)19)11-8-14(22)16-12(20)5-6-13(21)17(16)18(11)23/h4-6,8,15,20-21H,7H2,1-3H3
InChIKeyWNFXUXZJJKTDOZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Acetylshikonin (CHEBI:81069) is a acetate ester (CHEBI:47622)
Acetylshikonin (CHEBI:81069) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Manual XrefsDatabases
C17413KEGG COMPOUND
Registry NumbersSources
CAS:24502-78-1KEGG COMPOUND