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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ether > quercetagetin 3-methyl ether 7-o-sulfate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > quercetagetin 3-methyl ether 7-o-sulfate

Preferred term

quercetagetin 3-methyl ether 7-o-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C16H12O11S

inchi

  • InChI=1S/C16H12O11S/c1-25-16-14(21)11-9(5-10(12(19)13(11)20)27-28(22,23)24)26-15(16)6-2-3-7(17)8(18)4-6/h2-5,17-20H,1H3,(H,22,23,24)

inchikey

  • QOBBVPZWFXTPBO-UHFFFAOYSA-N

mass

  • 412.320

monoisotopicmass

  • 412.01003

smiles

  • S(OC=1C=C2OC(=C(OC)C(=O)C2=C(O)C1O)C3=CC(O)=C(O)C=C3)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-4-oxochromen-7-yl] hydrogen sulate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193490

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