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CHEBI:168472 - Tyramine glucuronide

ChEBI IDCHEBI:168472
ChEBI NameTyramine glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC14H19NO7
Net Charge0
Average Mass313.306
Monoisotopic Mass313.11615
SMILESNCCc1ccc(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1
InChIInChI=1S/C14H19NO7/c15-6-5-7-1-3-8(4-2-7)21-14-11(18)9(16)10(17)12(22-14)13(19)20/h1-4,9-12,14,16-18H,5-6,15H2,(H,19,20)/t9-,10-,11+,12-,14+/m0/s1
InChIKeyAQKVISOBVPVACA-BYNIDDHOSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
Tyramine glucuronide (CHEBI:168472) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[4-(2-aminoethyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
167561ChemSpider
C03033KEGG COMPOUND
Beta-D-GlucuronidesMetaCyc
HMDB0010328HMDB
Registry NumbersSources
CAS:27972-85-6ChemIDplus