EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:198025 - K1115 A

ChEBI IDCHEBI:198025
ChEBI NameK1115 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H14O6
Net Charge0
Average Mass326.304
Monoisotopic Mass326.07904
SMILESCCCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O
InChIInChI=1S/C18H14O6/c1-2-4-8-13-10(7-12(20)15(8)18(23)24)16(21)9-5-3-6-11(19)14(9)17(13)22/h3,5-7,19-20H,2,4H2,1H3,(H,23,24)
InChIKeyFNFBCXUSCQLQFP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (9711216)
ChEBI Ontology
Outgoing Relation(s)
K1115 A (CHEBI:198025) is a anthracenes (CHEBI:46955)
IUPAC Name 
3,8-dihydroxy-9,10-dioxo-1-propylanthracene-2-carboxylic acid
Manual XrefsDatabases
8511938ChemSpider