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CHEBI:208512 - Arugosin J

ChEBI IDCHEBI:208512
ChEBI NameArugosin J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H16O6
Net Charge0
Average Mass316.309
Monoisotopic Mass316.09469
SMILESCOc1cc(O)cc2c1[C@@H](OC)Oc1cc(C)cc(O)c1C2=O
InChIInChI=1S/C17H16O6/c1-8-4-11(19)15-13(5-8)23-17(22-3)14-10(16(15)20)6-9(18)7-12(14)21-2/h4-7,17-19H,1-3H3/t17-/m0/s1
InChIKeyYYAPXRAIIZQCPR-KRWDZBQOSA-N
Species of MetaboliteComponentSourceComments
Xylariaspecies (ncbitaxon:1715255) - DOI (10.1016/j.tetlet.2014.12.120)
ChEBI Ontology
Outgoing Relation(s)
Arugosin J (CHEBI:208512) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
1,9-dihydroxy-6,7-dimethoxy-3-methyl-6H-benzo[c][1]benzoxepin-11-one
Manual XrefsDatabases
78435471ChemSpider