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CHEBI:185849 - 8-hydroxymianserin glucuronide

ChEBI IDCHEBI:185849
ChEBI Name8-hydroxymianserin glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H28N2O7
Net Charge0
Average Mass456.495
Monoisotopic Mass456.18965
SMILESCN1CCN2c3ccc(O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3Cc3ccccc3C2C1
InChIInChI=1S/C24H28N2O7/c1-25-8-9-26-17-7-6-15(32-24-21(29)19(27)20(28)22(33-24)23(30)31)11-14(17)10-13-4-2-3-5-16(13)18(26)12-25/h2-7,11,18-22,24,27-29H,8-10,12H2,1H3,(H,30,31)/t18?,19-,20-,21+,22-,24+/m0/s1
InChIKeyBIPZSOCAFBEZTQ-JZOWGYKDSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
8-hydroxymianserin glucuronide (CHEBI:185849) is a dibenzooxazepine (CHEBI:53802)
IUPAC Name 
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(5-methyl-2,5-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-yl)oxy]oxane-2-carboxylic acid
Manual XrefsDatabases
62881470ChemSpider