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CHEBI:224180 - Bisorbibutenolide

ChEBI IDCHEBI:224180
ChEBI NameBisorbibutenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H32O8
Net Charge0
Average Mass496.556
Monoisotopic Mass496.20972
SMILESC/C=C/C=C/C(=O)[C@@H]1[C@@H]([C@]2(C)OC(=O)C(C)=C2O)[C@H]2/C(=C(O)/C=C/C=C/C)C(=O)[C@]1(C)C(=O)[C@@]2(C)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-GWWYSJQKSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (27393585)
ChEBI Ontology
Outgoing Relation(s)
Bisorbibutenolide (CHEBI:224180) is a butenolide (CHEBI:50523)
IUPAC Name 
(1R,3S,4S,5E,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 XrefsDatabases
78438277ChemSpider