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CHEBI:227098 - Penicilfuranone A

ChEBI IDCHEBI:227098
ChEBI NamePenicilfuranone A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O9
Net Charge0
Average Mass486.517
Monoisotopic Mass486.18898
SMILESCC/C=C/C=C/[C@@]1(C)OC([C@H]2[C@@H](C)C(=O)c3cc(OC)c(O)c(O)c3[C@@]2(C)O)=C(C(=O)OC)C1=O
InChIInChI=1S/C26H30O9/c1-7-8-9-10-11-25(3)23(30)16(24(31)34-6)22(35-25)17-13(2)19(27)14-12-15(33-5)20(28)21(29)18(14)26(17,4)32/h8-13,17,28-29,32H,7H2,1-6H3/b9-8+,11-10+/t13-,17-,25-,26+/m1/s1
InChIKeyUOGPFNCTDONNAC-NFZKFCKVSA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies sh18 (ncbitaxon:1661259) - PubMed (26677752)
ChEBI Ontology
Outgoing Relation(s)
Penicilfuranone A (CHEBI:227098) is a tetralins (CHEBI:36786)
IUPAC Name 
methyl (5R)-5-[(1E,3E)-hexa-1,3-dienyl]-5-methyl-4-oxo-2-[(1S,2S,3R)-1,7,8-trihydroxy-6-methoxy-1,3-dimethyl-4-oxo-2,3-dihydronaphthalen-2-yl]uran-3-carboxylate
Manual XrefsDatabases
58915005ChemSpider