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CHEBI:81530 - Deoxyshikonin

ChEBI IDCHEBI:81530
ChEBI NameDeoxyshikonin
Stars
Last Modified9 June 2016
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FormulaC16H16O4
Net Charge0
Average Mass272.300
Monoisotopic Mass272.10486
SMILESCC(C)=CCCC1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
InChIKeyVOMDIEGPEURZJO-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Deoxyshikonin (CHEBI:81530) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Manual XrefsDatabases
C18133KEGG COMPOUND