EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:181002 - 7-(5,7-Dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid

ChEBI IDCHEBI:181002
ChEBI Name7-(5,7-Dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H22O7
Net Charge0
Average Mass350.367
Monoisotopic Mass350.13655
SMILESCOc1cc(OC)c2c(=O)cc(CC(O)CCCCC(=O)O)oc2c1
InChIInChI=1S/C18H22O7/c1-23-12-9-15(24-2)18-14(20)8-13(25-16(18)10-12)7-11(19)5-3-4-6-17(21)22/h8-11,19H,3-7H2,1-2H3,(H,21,22)
InChIKeyCRHUZHVITSVUHQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-(5,7-Dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid (CHEBI:181002) is a chromones (CHEBI:23238)
IUPAC Name 
7-(5,7-dimethoxy-4-oxochromen-2-yl)-6-hydroxyheptanoic acid
Manual XrefsDatabases
78741614ChemSpider