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CHEBI:208600 - 10,11,16,17-tetrahydrobislongiquinolide

ChEBI IDCHEBI:208600
ChEBI Name10,11,16,17-tetrahydrobislongiquinolide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H36O8
Net Charge0
Average Mass500.588
Monoisotopic Mass500.24102
SMILESCC=CCCC(=O)C1=C(O)[C@]2(C)C(=O)[C@@](C)(O)C1[C@H]([C@]1(C)OC(=O)C(C)=C1O)C2C(=O)CCC=CC
InChIInChI=1S/C28H36O8/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/h7-10,19-21,31-32,35H,11-14H2,1-6H3/t19?,20?,21-,26-,27+,28+/m1/s1
InChIKeyYPFBPKRPSSNAII-JMQZAYEBSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (31357680)
ChEBI Ontology
Outgoing Relation(s)
10,11,16,17-tetrahydrobislongiquinolide (CHEBI:208600) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(5S)-5-[(2S,4R,7S)-3,6-di(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