EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:189304 - Furaquinocin J

ChEBI IDCHEBI:189304
ChEBI NameFuraquinocin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H25NO7
Net Charge0
Average Mass415.442
Monoisotopic Mass415.16310
SMILESCOC1=C(C)C(=O)c2c(cc(O)c3c2O[C@H](C)[C@]3(C)[C@H](O)C/C=C(\C)C(N)=O)C1=O
InChIInChI=1S/C22H25NO7/c1-9(21(23)28)6-7-14(25)22(4)11(3)30-20-15-12(8-13(24)16(20)22)18(27)19(29-5)10(2)17(15)26/h6,8,11,14,24-25H,7H2,1-5H3,(H2,23,28)/b9-6+/t11-,14-,22-/m1/s1
InChIKeyGBBLKHXBUPVKJV-PILGHQHZSA-N
Species of MetaboliteComponentSourceComments
Arabidopsis thaliana (ncbitaxon:3702) leaf (BTO:0000713) MetaboLights (MTBLS3997)
ChEBI Ontology
Outgoing Relation(s)
Furaquinocin J (CHEBI:189304) is a naphthofuran (CHEBI:39270)
IUPAC Name 
(E,5R)-5-hydroxy-5-[(2R,3S)-4-hydroxy-7-methoxy-2,3,8-trimethyl-6,9-dioxo-2H-benzo[g][1]benzouran-3-yl]-2-methylpent-2-enamide
Manual XrefsDatabases
59701571ChemSpider