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Concept information

Preferred term

xanthurenate-8-o-beta-d-glucoside  

Type

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

Broader concept

charge

  • 0

formula

  • C16H17NO9

inchi

  • InChI=1S/C16H17NO9/c18-5-10-12(20)13(21)14(22)16(26-10)25-9-3-1-2-6-8(19)4-7(15(23)24)17-11(6)9/h1-4,10,12-14,16,18,20-22H,5H2,(H,17,19)(H,23,24)/t10-,12+,13+,14+,16-/m1/s1

inchikey

  • MYFHOUJDPFBJLH-XGJKELJWSA-N

mass

  • 367.310

monoisotopicmass

  • 367.09033

smiles

  • O1[C@@H]([C@H](O)[C@H](O)[C@H](O)[C@@H]1OC=2C=3NC(=CC(=O)C3C=CC2)C(O)=O)CO

subset

  • 2_STAR

synonym EXACT

  • 4-oxo-8-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1H-quinoline-2-carboxylic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:179661

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