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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > isoflavones > 4-hydroxy-5-(dihydroxyphenyl)-valeric acid-o-sulphate
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > isoflavones > 4-hydroxy-5-(dihydroxyphenyl)-valeric acid-o-sulphate

Preferred term

4-hydroxy-5-(dihydroxyphenyl)-valeric acid-o-sulphate  

Type

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

Broader concept

charge

  • 0

formula

  • C11H14O8S

inchi

  • InChI=1S/C11H14O8S/c12-8(2-4-11(15)19-20(16,17)18)5-7-1-3-9(13)10(14)6-7/h1,3,6,8,12-14H,2,4-5H2,(H,16,17,18)

inchikey

  • VVUTYASUIRQDDR-UHFFFAOYSA-N

mass

  • 306.290

monoisotopicmass

  • 306.04094

smiles

  • C=1(C=C(C=CC1O)CC(CCC(OS(=O)(O)=O)=O)O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:145964

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