CHEBI:58985 - bihapten 1

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ChEBI Name bihapten 1 ChEBI ID CHEBI:58985 Definition A butan-4-olide having a methylidene group at the 3-position and a 9-(2,3-dihydroxyphenyl)nonyl substituent at the 5-position. Stars This entity has been manually annotated by the ChEBI Team. 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 C20H28O4 Net Charge 0 Average Mass 332.43390 Monoisotopic Mass 332.19876 InChI InChI=1S/C20H28O4/c1-15-14-17(24-20(15)23)12-8-6-4-2-3-5-7-10-16-11-9-13-18(21)19(16)22/h9,11,13,17,21-22H,1-8,10,12,14H2 InChIKey SKCQGHHJJUEPFL-UHFFFAOYSA-N SMILES Oc1cccc(CCCCCCCCCC2CC(=C)C(=O)O2)c1O ChEBI Ontology Outgoing bihapten 1 (CHEBI:58985) is a butan-4-olide (CHEBI:22950) bihapten 1 (CHEBI:58985) is a catechols (CHEBI:33566) IUPAC Name 5-[9-(2,3-dihydroxyphenyl)nonyl]-3-methylideneoxolan-2-one Synonym Source 5-[9-(2,3-dihydroxyphenyl)nonyl]-3-methylidenedihydrofuran-2(3H)-one IUPAC Registry Numbers Types Sources 5585807 Beilstein Registry Number Beilstein 5585807 Reaxys Registry Number Reaxys Citation Type Source 3806592 PubMed citation Europe PMC Last Modified 22 December 2015