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CHEBI:192007 - 4beta-(2-Aminoethylthio)catechin

ChEBI IDCHEBI:192007
ChEBI Name4beta-(2-Aminoethylthio)catechin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H19NO6S
Net Charge0
Average Mass365.407
Monoisotopic Mass365.09331
SMILESNCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@H]1O
InChIInChI=1S/C17H19NO6S/c18-3-4-25-17-14-12(22)6-9(19)7-13(14)24-16(15(17)23)8-1-2-10(20)11(21)5-8/h1-2,5-7,15-17,19-23H,3-4,18H2/t15-,16-,17+/m1/s1
InChIKeyRTWGDOBXVVOEQF-ZACQAIPSSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
4beta-(2-Aminoethylthio)catechin (CHEBI:192007) is a catechin (CHEBI:23053)
IUPAC Name 
(2R,3R,4S)-4-(2-aminoethylsulanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Manual XrefsDatabases
9362756ChemSpider