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CHEBI:190865 - 4-Hydroxytamoxifen-N-glucuronide

ChEBI IDCHEBI:190865
ChEBI Name4-Hydroxytamoxifen-N-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H33NO9
Net Charge0
Average Mass551.592
Monoisotopic Mass551.21553
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNOC2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccccc1
InChIInChI=1S/C30H33NO9/c1-2-23(18-6-4-3-5-7-18)24(19-8-12-21(32)13-9-19)20-10-14-22(15-11-20)38-17-16-31-40-30-27(35)25(33)26(34)28(39-30)29(36)37/h3-15,25-28,30-35H,2,16-17H2,1H3,(H,36,37)/b24-23+/t25-,26-,27+,28-,30?/m1/s1
InChIKeyZGQCEPMGLPXICX-JMQJMEEHSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) root (BTO:0001188) MetaboLights (MTBLS4362)
ChEBI Ontology
Outgoing Relation(s)
4-Hydroxytamoxifen-N-glucuronide (CHEBI:190865) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethylamino]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0061124HMDB
35031850ChemSpider