EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:230251 - 2-(3,6,9-Trihydroxy-4-amino-9H-xanthene-9-yl)benzoic acid gamma-lactone

ChEBI IDCHEBI:230251
ChEBI Name2-(3,6,9-Trihydroxy-4-amino-9H-xanthene-9-yl)benzoic acid gamma-lactone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H13NO5
Net Charge0
Average Mass347.326
Monoisotopic Mass347.07937
SMILESNc1c(O)ccc2c1Oc1cc(O)ccc1C21OC(=O)c2ccccc21
InChIInChI=1S/C20H13NO5/c21-17-15(23)8-7-14-18(17)25-16-9-10(22)5-6-13(16)20(14)12-4-2-1-3-11(12)19(24)26-20/h1-9,22-23H,21H2
InChIKeyXGCPRNALUJTCRO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
2-(3,6,9-Trihydroxy-4-amino-9H-xanthene-9-yl)benzoic acid gamma-lactone (CHEBI:230251) is a xanthenes (CHEBI:38835)
IUPAC Name 
4'-amino-3',6'-dihydroxyspiro[2-benzouran-3,9'-xanthene]-1-one
Manual XrefsDatabases
13592092ChemSpider
HMDB0246789HMDB