EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:200794 - MS-444

ChEBI IDCHEBI:200794
ChEBI NameMS-444
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H10O4
Net Charge0
Average Mass230.219
Monoisotopic Mass230.05791
SMILESCc1occ2c1C(=O)c1c(O)ccc(O)c1C2
InChIInChI=1S/C13H10O4/c1-6-11-7(5-17-6)4-8-9(14)2-3-10(15)12(8)13(11)16/h2-3,5,14-15H,4H2,1H3
InChIKeyTZUYDLKHNQUNKS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Micromonospora (ncbitaxon:1873) - PubMed (7592060)
ChEBI Ontology
Outgoing Relation(s)
MS-444 (CHEBI:200794) is a naphthofuran (CHEBI:39270)
IUPAC Name 
5,8-dihydroxy-3-methyl-9H-benzo[][2]benzouran-4-one
Manual XrefsDatabases
117293ChemSpider