CHEBI:2579 - Alkannin beta,beta-dimethylacrylate

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ChEBI Name Alkannin beta,beta-dimethylacrylate ChEBI ID CHEBI:2579 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 C21H22O6 Net Charge 0 Average Mass 370.397 Monoisotopic Mass 370.14164 InChI InChI=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-/m0/s1 InChIKey BATBOVZTQBLKIL-KRWDZBQOSA-N SMILES CC(C)=CC[C@H](OC(=O)C=C(C)C)C1=CC(=O)c2c(O)ccc(O)c2C1=O ChEBI Ontology Outgoing Alkannin beta,beta-dimethylacrylate (CHEBI:2579) is a hydroxy-1,4-naphthoquinone (CHEBI:132157) Synonym Source Alkannin beta,beta-dimethylacrylate KEGG COMPOUND Manual Xrefs Databases C00002788 KNApSAcK C10293 KEGG COMPOUND View more database links Registry Number Type Source 5162-01-6 CAS Registry Number KEGG COMPOUND Last Modified 09 June 2016