CHEBI:81069 - Acetylshikonin

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ChEBI Name Acetylshikonin ChEBI ID CHEBI:81069 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H18O6 Net Charge 0 Average Mass 330.33190 Monoisotopic Mass 330.11034 InChI InChI=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 InChIKey WNFXUXZJJKTDOZ-UHFFFAOYSA-N SMILES CC(=O)OC(CC=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ChEBI Ontology Outgoing Acetylshikonin (CHEBI:81069) is a acetate ester (CHEBI:47622) Acetylshikonin (CHEBI:81069) is a hydroxy-1,4-naphthoquinone (CHEBI:132157) Manual Xref Database C17413 KEGG COMPOUND View more database links Registry Number Type Source 24502-78-1 CAS Registry Number KEGG COMPOUND Last Modified 09 June 2016