EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222226 - Fusarubinoic acid

ChEBI IDCHEBI:222226
ChEBI NameFusarubinoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H12O8
Net Charge0
Average Mass320.253
Monoisotopic Mass320.05322
SMILESCOC1=CC(=O)c2c(O)c(C(=O)O)c(CC(C)=O)c(O)c2C1=O
InChIInChI=1S/C15H12O8/c1-5(16)3-6-9(15(21)22)14(20)10-7(17)4-8(23-2)13(19)11(10)12(6)18/h4,18,20H,3H2,1-2H3,(H,21,22)
InChIKeyJCQVSLPRIQVCHH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Fusarubinoic acid (CHEBI:222226) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
1,4-dihydroxy-6-methoxy-5,8-dioxo-3-(2-oxopropyl)naphthalene-2-carboxylic acid
Manual XrefsDatabases
35763943ChemSpider