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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavones > quercetin 3,7-di-o-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > anthoxanthin > flavones > quercetin 3,7-di-o-sulfate

Preferred term

quercetin 3,7-di-o-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C15H10O13S2

inchi

  • InChI=1S/C15H10O13S2/c16-8-2-1-6(3-9(8)17)14-15(28-30(23,24)25)13(19)12-10(18)4-7(5-11(12)26-14)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)

inchikey

  • WFXOPUUONQJQRD-UHFFFAOYSA-N

mass

  • 462.350

monoisotopicmass

  • 461.95628

smiles

  • S(OC1=C(OC=2C(C1=O)=C(O)C=C(OS(O)(=O)=O)C2)C3=CC(O)=C(O)C=C3)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-sulooxychromen-7-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187546

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