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CHEBI:191818 - Alpha-Hydroxy-tamoxifen-O-glucuronide

ChEBI IDCHEBI:191818
ChEBI NameAlpha-Hydroxy-tamoxifen-O-glucuronide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H37NO8
Net Charge0
Average Mass563.647
Monoisotopic Mass563.25192
SMILESCC/C(=C(\c1ccccc1)c1ccc(OCCN(C)CO[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccccc1
InChIInChI=1S/C32H37NO8/c1-3-25(21-10-6-4-7-11-21)26(22-12-8-5-9-13-22)23-14-16-24(17-15-23)39-19-18-33(2)20-40-32-29(36)27(34)28(35)30(41-32)31(37)38/h4-17,27-30,32,34-36H,3,18-20H2,1-2H3,(H,37,38)/b26-25-/t27-,28-,29+,30-,32+/m0/s1
InChIKeyWEHJOAAYUBXOCR-RVJUPFJYSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
seed (BTO:0001226) MetaboLights (MTBLS4572)
bark (BTO:0001301) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Alpha-Hydroxy-tamoxifen-O-glucuronide (CHEBI:191818) is a glycoside (CHEBI:24400)
Alpha-Hydroxy-tamoxifen-O-glucuronide (CHEBI:191818) is a stilbenoid (CHEBI:26776)
IUPAC Name 
(2S,3S,4S,5R,6S)-6-[[2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]ethyl-methylamino]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0060808HMDB
30778593ChemSpider