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CHEBI:227071 - Preaspernidgulene A1

ChEBI IDCHEBI:227071
ChEBI NamePreaspernidgulene A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H30O5
Net Charge0
Average Mass398.499
Monoisotopic Mass398.20932
SMILESCC(=CC(=O)O)C=C(C)C=C(C)C=CC=CC=C(C)[C@@H]1OC(=O)C(C)=C(O)[C@H]1C
InChIInChI=1S/C24H30O5/c1-15(12-16(2)13-17(3)14-21(25)26)10-8-7-9-11-18(4)23-19(5)22(27)20(6)24(28)29-23/h7-14,19,23,27H,1-6H3,(H,25,26)/t19-,23+/m1/s1
InChIKeyPZEYJJNSSWZZBI-XXBNENTESA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30302871)
ChEBI Ontology
Outgoing Relation(s)
Preaspernidgulene A1 (CHEBI:227071) is a terpene lactone (CHEBI:37668)
IUPAC Name 
13-[(2R,3S)-4-hydroxy-3,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-3,5,7-trimethyltetradeca-2,4,6,8,10,12-hexaenoic acid