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CHEBI:219621 - 1,9-dihydroxy-3-(hydroxymethyl)-10-methoxydibenzo[b,e]oxepine-6,11-dione

ChEBI IDCHEBI:219621
ChEBI Name1,9-dihydroxy-3-(hydroxymethyl)-10-methoxydibenzo[b,e]oxepine-6,11-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H12O7
Net Charge0
Average Mass316.265
Monoisotopic Mass316.05830
SMILESCOc1c(O)ccc2c(=O)oc3cc(CO)cc(O)c3c(=O)c12
InChIInChI=1S/C16H12O7/c1-22-15-9(18)3-2-8-12(15)14(20)13-10(19)4-7(6-17)5-11(13)23-16(8)21/h2-5,17-19H,6H2,1H3
InChIKeyZFMRGVYMFWBVLX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Aspergillus versicolor (ncbitaxon:46472) - DOI (10.1016/s0040-4039(00)02154-7)
ChEBI Ontology
Outgoing Relation(s)
1,9-dihydroxy-3-(hydroxymethyl)-10-methoxydibenzo[b,e]oxepine-6,11-dione (CHEBI:219621) is a oxacycle (CHEBI:38104)
IUPAC Name 
1,9-dihydroxy-3-(hydroxymethyl)-10-methoxybenzo[c][1]benzoxepine-6,11-dione
Manual XrefsDatabases
8670992ChemSpider