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CHEBI:143474 - (2R,3R,4R,5S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid

ChEBI IDCHEBI:143474
ChEBI Name(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid
Stars
Submittermwilliams
DownloadsMolfile
FormulaC20H19NO11
Net Charge0
Average Mass449.368
Monoisotopic Mass449.09581
SMILESCc1ccc(C(=O)c2cc(OC3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C20H19NO11/c1-8-2-4-9(5-3-8)13(22)10-6-11(21(29)30)14(23)12(7-10)31-20-17(26)15(24)16(25)18(32-20)19(27)28/h2-7,15-18,20,23-26H,1H3,(H,27,28)/t15-,16-,17+,18-,20?/m0/s1
InChIKeyQQQCXCUCFPMHBX-BCHVZBRRSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3R,4R,5S)-3,4,5-trihydroxy-6-[2-hydroxy-5-(4-methylbenzoyl)-3-nitrophenoxy]oxane-2-carboxylic acid (CHEBI:143474) is a glycoside (CHEBI:24400)