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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > 3,5,7-trihydroxyflavone 3-glucoside-8-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > 3,5,7-trihydroxyflavone 3-glucoside-8-sulfate

Preferred term

3,5,7-trihydroxyflavone 3-glucoside-8-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20O13S

inchi

  • InChI=1S/C21H20O13S/c22-7-11-13(25)15(27)16(28)21(32-11)34-19-14(26)12-9(23)6-10(24)20(35(29,30)31)18(12)33-17(19)8-4-2-1-3-5-8/h1-6,11,13,15-16,21-25,27-28H,7H2,(H,29,30,31)/t11?,13-,15+,16?,21+/m1/s1

inchikey

  • IFHBLQSSJDMWJS-DLBNBXSVSA-N

mass

  • 512.440

monoisotopicmass

  • 512.06246

smiles

  • S(O)(=O)(=O)C=1C=2OC(=C(O[C@@H]3OC([C@@H](O)[C@H](O)C3O)CO)C(=O)C2C(O)=CC1O)C4=CC=CC=C4

subset

  • 2_STAR

synonym EXACT

  • 5,7-dihydroxy-4-oxo-2-phenyl-3-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromene-8-sulonic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:188006

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