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CHEBI:187137 - Formoterol glucuronide

ChEBI IDCHEBI:187137
ChEBI NameFormoterol glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H32N2O10
Net Charge0
Average Mass520.535
Monoisotopic Mass520.20570
SMILESCOc1ccc(CC(C)NCC(O)c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(NC=O)c2)cc1
InChIInChI=1S/C25H32N2O10/c1-13(9-14-3-6-16(35-2)7-4-14)26-11-18(29)15-5-8-19(17(10-15)27-12-28)36-25-22(32)20(30)21(31)23(37-25)24(33)34/h3-8,10,12-13,18,20-23,25-26,29-32H,9,11H2,1-2H3,(H,27,28)(H,33,34)/t13?,18?,20-,21-,22+,23-,25+/m0/s1
InChIKeyCHNNYXWDVZXHPK-FUIIKILGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Formoterol glucuronide (CHEBI:187137) is a glycoside (CHEBI:24400)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[2-ormamido-4-[1-hydroxy-2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
81367700ChemSpider
Registry NumbersSources
CAS:87833-62-3ChemIDplus