CHEBI:81068 - Shikonin

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ChEBI Name Shikonin
ChEBI ID CHEBI:81068
Stars This entity has been manually annotated by a third party.
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Formula C16H16O5
Net Charge 0
Average Mass 288.29520
Monoisotopic Mass 288.09977
InChI InChI=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
InChIKey NEZONWMXZKDMKF-SNVBAGLBSA-N
SMILES CC(C)=CC[C@@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O
ChEBI Ontology
Outgoing Shikonin (CHEBI:81068) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Manual Xrefs Databases
C17412 KEGG COMPOUND
LSM-6309 LINCS
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Registry Number Type Source
517-89-5 CAS Registry Number KEGG COMPOUND
Last Modified
09 June 2016