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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4beta-(2-aminoethylthio)catechin

Preferred term

4beta-(2-aminoethylthio)catechin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H19NO6S

inchi

  • InChI=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

inchikey

  • RTWGDOBXVVOEQF-ZACQAIPSSA-N

mass

  • 365.400

monoisotopicmass

  • 365.09331

smiles

  • S([C@@H]1[C@H](O)[C@H](OC=2C1=C(O)C=C(O)C2)C3=CC(O)=C(O)C=C3)CCN

subset

  • 2_STAR

synonym EXACT

  • (2R,3R,4S)-4-(2-aminoethylsulanyl)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:192007

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