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Chemistry, part 2

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > c-glycosyl compound > /{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4h-chromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl/}oxidanesulfonic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > /{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4h-chromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl/}oxidanesulfonic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > /{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4h-chromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl/}oxidanesulfonic acid

Preferred term

/{2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-4h-chromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl/}oxidanesulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C22H20O13S

inchi

  • InChI=1S/C22H20O13S/c1-8-18(26)20(28)22(35-36(29,30)31)21(33-8)17-12(25)7-15-16(19(17)27)11(24)6-13(34-15)9-3-4-10(23)14(5-9)32-2/h3-8,20-23,25,27-28H,1-2H3,(H,29,30,31)

inchikey

  • PTYYTRCNRAWUSQ-UHFFFAOYSA-N

mass

  • 524.450

monoisotopicmass

  • 524.06246

smiles

  • S(OC1C(OC(C(=O)C1O)C)C2=C(O)C3=C(OC(=CC3=O)C4=CC(OC)=C(O)C=C4)C=C2O)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [2-[5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-6-yl]-4-hydroxy-6-methyl-5-oxooxan-3-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169201

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