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Concept information

... > chemical entity > molecular entity > ion > anion > organic anion > flavonoid oxoanion > quercetin 3,3',7-trissulfate(4-)
... > chemical entity > molecular entity > ion > organic ion > organic anion > flavonoid oxoanion > quercetin 3,3',7-trissulfate(4-)

Preferred term

quercetin 3,3',7-trissulfate(4-)  

Type

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

charge

  • -4

formula

  • C15H6O16S3

inchi

  • InChI=1S/C15H10O16S3/c16-8-2-1-6(3-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)/p-4

inchikey

  • WWSKELVNYRIPTL-UHFFFAOYSA-J

is_conjugate_base_of

mass

  • 538.39600

monoisotopicmass

  • 537.88399

smiles

  • Oc1ccc(cc1OS([O-])(=O)=O)-c1oc2cc(OS([O-])(=O)=O)cc([O-])c2c(=O)c1OS([O-])(=O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-[4-hydroxy-3-(sulfonatooxy)phenyl]-5-oxido-4-oxo-4H-chromene-3,7-diyl disulfate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77984

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