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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 IDCHEBI:183864
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
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O8
Net Charge0
Average Mass496.556
Monoisotopic Mass496.20972
SMILES[H][C@@]1([C@]2(C)OC(=O)C(C)=C2O)[C@@H](C(=O)/C=C/C=C/C)[C@]2(C)C(=O)/C(=C(O)/C=C/C=C/C)[C@@]1([H])C(C)(O)C2=O
InChIInChI=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
InChIKeyPOOKHYNGUAZJAE-ZTHROODHSA-N
Species of MetaboliteComponentSourceComments
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
ChEBI Ontology
Outgoing Relation(s)
(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
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