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CHEBI:175913 - 4beta-(2-Aminoethylthio)epicatechin 3-gallate

ChEBI IDCHEBI:175913
ChEBI Name4beta-(2-Aminoethylthio)epicatechin 3-gallate
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SubmitterMetaboLights
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FormulaC24H23NO10S
Net Charge0
Average Mass517.512
Monoisotopic Mass517.10427
SMILESNCCS[C@H]1c2c(O)cc(O)cc2O[C@H](c2ccc(O)c(O)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(O)c1
InChIInChI=1S/C24H23NO10S/c25-3-4-36-23-19-15(29)8-12(26)9-18(19)34-21(10-1-2-13(27)14(28)5-10)22(23)35-24(33)11-6-16(30)20(32)17(31)7-11/h1-2,5-9,21-23,26-32H,3-4,25H2/t21-,22+,23+/m1/s1
InChIKeyBUOJWHRWJNBBQB-VJBWXMMDSA-N
ChEBI Ontology
Outgoing Relation(s)
4beta-(2-Aminoethylthio)epicatechin 3-gallate (CHEBI:175913) is a catechin (CHEBI:23053)
IUPAC Name 
[(2R,3S,4S)-4-(2-aminoethylsulanyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
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