EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:175508 - Artonol A

ChEBI IDCHEBI:175508
ChEBI NameArtonol A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H20O5
Net Charge0
Average Mass352.386
Monoisotopic Mass352.13107
SMILESC=C(C)C1CC(=O)c2oc3c4c(cc(O)c3c(=O)c2C1)OC(C)(C)C=C4
InChIInChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3
InChIKeyXCESLDIMJGQRPW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Artonol A (CHEBI:175508) is a pyranoxanthones (CHEBI:71238)
IUPAC Name 
6-hydroxy-3,3-dimethyl-9-prop-1-en-2-yl-9,10-dihydro-8H-pyrano[2,3-c]xanthene-7,11-dione
Manual XrefsDatabases
HMDB0030487HMDB
8912048ChemSpider