EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:226397 - 1-hydroxy-3-(hydroxymethyl)-10-methoxybenzo[c][1]benzoxepine-6,11-dione

ChEBI IDCHEBI:226397
ChEBI Name1-hydroxy-3-(hydroxymethyl)-10-methoxybenzo[c][1]benzoxepine-6,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O6
Net Charge0
Average Mass300.266
Monoisotopic Mass300.06339
SMILESCOc1cccc2c(=O)oc3cc(CO)cc(O)c3c(=O)c12
InChIInChI=1S/C16H12O6/c1-21-11-4-2-3-9-13(11)15(19)14-10(18)5-8(7-17)6-12(14)22-16(9)20/h2-6,17-18H,7H2,1H3
InChIKeySBMXVFLOHBSCJO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/s0040-4039(00)02154-7)
ChEBI Ontology
Outgoing Relation(s)
1-hydroxy-3-(hydroxymethyl)-10-methoxybenzo[c][1]benzoxepine-6,11-dione (CHEBI:226397) is a oxacycle (CHEBI:38104)
IUPAC Name 
1-hydroxy-3-(hydroxymethyl)-10-methoxybenzo[c][1]benzoxepine-6,11-dione
Manual XrefsDatabases
8860938ChemSpider