CHEBI:208594 - 10,11-dihydrobislongiquinolide

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 10,11-dihydrobislongiquinolide
ChEBI ID CHEBI:208594
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C28H34O8
Net Charge 0
Average Mass 498.572
Monoisotopic Mass 498.22537
InChI InChI=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
InChIKey XSCIGHBPJLXBOV-COQTUYRXSA-N
SMILES O=C1[C@@](O)(C2C(C(=O)CC/C=C/C)=C([C@]1(C(C(=O)/C=C/C=C/C)[C@H]2[C@@]3(OC(=O)C(=C3O)C)C)C)O)C
Metabolite of Species Details
Penicillium (NCBI:txid5073) See: PubMed
ChEBI Ontology
Outgoing 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