ChEBI

CHEBI:183864 - (1r,4s,7r,8s)-7-[(2e,4e)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2s)-3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl]-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione

ChEBI Name (1r,4s,7r,8s)-7-[(2e,4e)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2s)-3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl]-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione ChEBI ID CHEBI:183864 Stars This entity has been manually annotated by a third party. Submitter MetaboLights 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 C28H32O8 Net Charge 0 Average Mass 496.556 Monoisotopic Mass 496.20972 InChI InChI=1S/C28H32O8/c1-7-9-11-13-16(29)18-20-21(28(6)22(31)15(3)24(33)36-28)19(17(30)14-12-10-8-2)26(4,23(18)32)25(34)27(20,5)35/h7-14,19-21,29,31,35H,1-6H3/b9-7+,10-8+,13-11+,14-12+,18-16-/t19-,20-,21-,26-,27?,28+/m1/s1 InChIKey POOKHYNGUAZJAE-ZTHROODHSA-N SMILES O1[C@@]([C@]2([C@@]\3(C(O)(C(=O)[C@]([C@@H]2C(=O)/C=C/C=C/C)(C(=O)/C3=C(\O)/C=C/C=C/C)C)C)[H])[H])(C(O)=C(C1=O)C)C Metabolite of Species Details Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study ChEBI Ontology Outgoing (1r,4s,7r,8s)-7-[(2e,4e)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2s)-3-hydroxy-2,4-dimethyl-5-oxo-2,5-dihydrofuran-2-yl]-5-[(2e,4e)-1-hydroxyhexa-2,4-dien-1-ylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione (CHEBI:183864) is a butenolide (CHEBI:50523) IUPAC Name (1R,4S,5Z,7R,8S)-7-[(2E,4E)-hexa-2,4-dienoyl]-3-hydroxy-8-[(2S)-3-hydroxy-2,4-dimethyl-5-oxouran-2-yl]-5-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-1,3-dimethylbicyclo[2.2.2]octane-2,6-dione Manual Xref Database 22842358 ChemSpider View more database links