CHEBI:81068 - Shikonin

ChEBI IDCHEBI:81068
ChEBI NameShikonin
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-/m1/s1
InChIKeyNEZONWMXZKDMKF-SNVBAGLBSA-N
ChEBI Ontology
Outgoing Relation(s)
Shikonin (CHEBI:81068) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Manual XrefsDatabases
C17412KEGG COMPOUND
LSM-6309LINCS
Registry NumbersSources
CAS:517-89-5KEGG COMPOUND