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CHEBI:42292 - (2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol

ChEBI IDCHEBI:42292
ChEBI Name(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol
Stars
ASCII Name(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol
Last Modified17 October 2009
DownloadsMolfile
FormulaC27H29NO4S
Net Charge0
Average Mass463.599
Monoisotopic Mass463.18173
SMILES[H]Oc1c([H])c([H])c([C@@]2([H])Sc3c([H])c(O[H])c([H])c([H])c3O[C@@]2([H])c2c([H])c([H])c(OC([H])([H])C([H])([H])N3C([H])([H])C([H])([H])C([H])([H])C([H])([H])C3([H])[H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C27H29NO4S/c29-21-8-4-20(5-9-21)27-26(32-24-13-10-22(30)18-25(24)33-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2/t26-,27+/m0/s1
InChIKeyTWZNCTCQAGRUGQ-RRPNLBNLSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol (CHEBI:42292) is a N-oxyethylpiperidine (CHEBI:48737)
(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol (CHEBI:42292) is a benzoxathiine (CHEBI:48616)
(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol (CHEBI:42292) is a phenols (CHEBI:33853)
Synonyms  Source
(2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3-DIHYDRO-3-(4-HYDROXYPHENYL)BENZO[B][1,4]OXATHIIN-6-OLPDBeChem
(2S,3R)-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-olPDBeChem
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