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CHEBI:222954 - Demethylbisorbibutenolide

ChEBI IDCHEBI:222954
ChEBI NameDemethylbisorbibutenolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H30O8
Net Charge0
Average Mass482.529
Monoisotopic Mass482.19407
SMILESC/C=C/C=C/C(=O)[C@H]1[C@@H]2C(=O)/C(=C(O)/C=C/C=C/C)[C@H]([C@@H]1[C@]1(C)OC(=O)C(C)=C1O)[C@](C)(O)C2=O
InChIInChI=1S/C27H30O8/c1-6-8-10-12-15(28)17-19-22(30)18(16(29)13-11-9-7-2)20(26(4,34)24(19)32)21(17)27(5)23(31)14(3)25(33)35-27/h6-13,17,19-21,29,31,34H,1-5H3/b8-6+,9-7+,12-10+,13-11+,18-16-/t17-,19+,20+,21+,26-,27-/m0/s1
InChIKeyDHTXVJWDGPADRT-BXBFBQPFSA-N
Species of MetaboliteComponentSourceComments
Trichoderma (ncbitaxon:5543) - PubMed (17420582)
ChEBI Ontology
Outgoing Relation(s)
Demethylbisorbibutenolide (CHEBI:222954) is a β-diketone (CHEBI:67265)
IUPAC Name 
(1R,3S,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]-3-methylbicyclo[2.2.2]octane-2,6-dione
Manual XrefsDatabases
78438256ChemSpider