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CHEBI:81071 - beta,beta-Dimethylacrylshikonin

ChEBI IDCHEBI:81071
ChEBI Namebeta,beta-Dimethylacrylshikonin
Stars
Last Modified9 June 2016
DownloadsMolfile
FormulaC21H22O6
Net Charge0
Average Mass370.401
Monoisotopic Mass370.14164
SMILESCC(C)=CC[C@@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O
InChIInChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1
InChIKeyBATBOVZTQBLKIL-QGZVFWFLSA-N
ChEBI Ontology
Outgoing Relation(s)
beta,beta-Dimethylacrylshikonin (CHEBI:81071) is a hydroxy-1,4-naphthoquinone (CHEBI:132157)
Synonym  Source
DmaskKEGG COMPOUND
Manual XrefsDatabases
C17415KEGG COMPOUND
Registry NumbersSources
CAS:24502-79-2KEGG COMPOUND