EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185522 - Artomunoxanthentrione

ChEBI IDCHEBI:185522
ChEBI NameArtomunoxanthentrione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H20O7
Net Charge0
Average Mass444.439
Monoisotopic Mass444.12090
SMILESC=C(C)c1cc2c(=O)c3c(O)cc4c(c3oc2c2c1C(=O)C(OC)=CC2=O)C=CC(C)(C)O4
InChIInChI=1S/C26H20O7/c1-11(2)13-8-14-22(29)21-16(28)9-17-12(6-7-26(3,4)33-17)24(21)32-25(14)20-15(27)10-18(31-5)23(30)19(13)20/h6-10,28H,1H2,2-5H3
InChIKeyHYOUKKTWDGSFHB-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Artomunoxanthentrione (CHEBI:185522) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
11-hydroxy-19-methoxy-7,7-dimethyl-16-prop-1-en-2-yl-2,8-dioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione
Manual XrefsDatabases
HMDB0037913HMDB
24844329ChemSpider
LMPK12111528LIPID MAPS