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CHEBI:227076 - Preaspernidgulene A2

ChEBI IDCHEBI:227076
ChEBI NamePreaspernidgulene A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32O5
Net Charge0
Average Mass412.526
Monoisotopic Mass412.22497
SMILESCC(=CC(=O)O)C=C(C)C=C(C)C=CC=CC=C(C)[C@@H]1OC(=O)C(C)=C(O)C1(C)C
InChIInChI=1S/C25H32O5/c1-16(13-17(2)14-18(3)15-21(26)27)11-9-8-10-12-19(4)23-25(6,7)22(28)20(5)24(29)30-23/h8-15,23,28H,1-7H3,(H,26,27)/t23-/m0/s1
InChIKeyKMLFNHCEOOZYJG-QHCPKHFHSA-N
Species of MetaboliteComponentSourceComments
Aspergillus nidulans (ncbitaxon:162425) - PubMed (30302871)
ChEBI Ontology
Outgoing Relation(s)
Preaspernidgulene A2 (CHEBI:227076) is a terpene lactone (CHEBI:37668)
IUPAC Name 
13-[(2S)-4-hydroxy-3,3,5-trimethyl-6-oxo-2H-pyran-2-yl]-3,5,7-trimethyltetradeca-2,4,6,8,10,12-hexaenoic acid