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CHEBI:225380 - 7-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol

ChEBI IDCHEBI:225380
ChEBI Name7-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H17NO4
Net Charge0
Average Mass251.282
Monoisotopic Mass251.11576
SMILESCOc1ccc(C[C@@H]2OC=NC[C@H](O)[C@@H]2O)cc1
InChIInChI=1S/C13H17NO4/c1-17-10-4-2-9(3-5-10)6-12-13(16)11(15)7-14-8-18-12/h2-5,8,11-13,15-16H,6-7H2,1H3/t11-,12-,13-/m0/s1
InChIKeyPSOWXBQDNJUQLW-AVGNSLFASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (21972804)
ChEBI Ontology
Outgoing Relation(s)
7-(4-methoxybenzyl)-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol (CHEBI:225380) is a methoxybenzenes (CHEBI:51683)
IUPAC Name 
(5S,6S,7S)-7-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1,3-oxazepine-5,6-diol
Manual XrefsDatabases
78441228ChemSpider