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CHEBI:198800 - Guignardone L

Default Structure
ChEBI IDCHEBI:198800
ChEBI NameGuignardone L
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H28O5
Net Charge0
Average Mass360.450
Monoisotopic Mass360.19367
SMILESCO[C@H]1C[C@H](O)C2=C(C[C@H]3[C@H](C(C)=C/C=C/C(C)=O)CC[C@@]3(C)O2)C1=O
InChIInChI=1S/C21H28O5/c1-12(6-5-7-13(2)22)14-8-9-21(3)16(14)10-15-19(24)18(25-4)11-17(23)20(15)26-21/h5-7,14,16-18,23H,8-11H2,1-4H3/b7-5+,12-6?/t14-,16-,17-,18-,21+/m0/s1
InChIKeyJDVMHRYIBAJAJK-OACIXNKWSA-N
Species of MetaboliteComponentSourceComments
Aspergillus (ncbitaxon:5052) - PubMed (25574738)
ChEBI Ontology
Outgoing Relation(s)
Guignardone L (CHEBI:198800) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(1R,3aR,5S,7S,9aS)-5-hydroxy-7-methoxy-3a-methyl-1-[(4E)-6-oxohepta-2,4-dien-2-yl]-1,2,3,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8-one
Manual XrefsDatabases
78436406ChemSpider