EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:223298 - Penicilliquinone

ChEBI IDCHEBI:223298
ChEBI NamePenicilliquinone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H10O7
Net Charge0
Average Mass314.249
Monoisotopic Mass314.04265
SMILESCOc1cc(O)cc2c1C(=O)c1c(O)cc(C(=O)O)cc1C2=O
InChIInChI=1S/C16H10O7/c1-23-11-5-7(17)4-9-13(11)15(20)12-8(14(9)19)2-6(16(21)22)3-10(12)18/h2-5,17-18H,1H3,(H,21,22)
InChIKeyDOZQTWOEIPPXBX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - DOI (10.1016/j.tet.2014.05.105)
ChEBI Ontology
Outgoing Relation(s)
Penicilliquinone (CHEBI:223298) is a anthracenes (CHEBI:46955)
IUPAC Name 
4,7-dihydroxy-5-methoxy-9,10-dioxoanthracene-2-carboxylic acid
Manual XrefsDatabases
78434913ChemSpider