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CHEBI:208594 - 10,11-dihydrobislongiquinolide

ChEBI IDCHEBI:208594
ChEBI Name10,11-dihydrobislongiquinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H34O8
Net Charge0
Average Mass498.572
Monoisotopic Mass498.22537
SMILESC/C=C/C=C/C(=O)C1[C@@H]([C@]2(C)OC(=O)C(C)=C2O)C2C(C(=O)CC/C=C/C)=C(O)[C@]1(C)C(=O)[C@@]2(C)O
InChIInChI=1S/C28H34O8/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/h7-10,12,14,19-21,31-32,35H,11,13H2,1-6H3/b9-7+,10-8+,14-12+/t19?,20?,21-,26-,27+,28+/m1/s1
InChIKeyXSCIGHBPJLXBOV-COQTUYRXSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31357680)
ChEBI Ontology
Outgoing Relation(s)
10,11-dihydrobislongiquinolide (CHEBI:208594) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5S)-5-[(2S,4R,7S)-3-[(2E,4E)-hexa-2,4-dienoyl]-6-[(E)-hex-4-enoyl]-5,7-dihydroxy-4,7-dimethyl-8-oxo-2-bicyclo[2.2.2]oct-5-enyl]-4-hydroxy-3,5-dimethyluran-2-one