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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 > orientin 7-o-sulfate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > c-glycosyl compound > orientin 7-o-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > orientin 7-o-sulfate

Preferred term

orientin 7-o-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H20O14S

inchi

  • InChI=1S/C21H20O14S/c22-6-14-17(27)18(28)19(29)21(34-14)16-13(35-36(30,31)32)5-11(26)15-10(25)4-12(33-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-24,26-29H,6H2,(H,30,31,32)/t14?,17-,18+,19?,21+/m1/s1

inchikey

  • LPBOXONDWRTDPQ-SZSUEBNWSA-N

mass

  • 528.440

monoisotopicmass

  • 528.05738

smiles

  • S(OC1=C([C@@]2(OC([C@@H](O)[C@H](O)C2O)CO)[H])C=3OC(=CC(=O)C3C(O)=C1)C4=CC(O)=C(O)C=C4)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-8-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-7-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186421

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