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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 4-hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-o-sulphate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > 4-hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-o-sulphate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > 4-hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-o-sulphate

Preferred term

4-hydroxy-5-(4'-hydroxyphenyl)-valeric acid-4'-o-sulphate  

Type

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

Broader concept

charge

  • 0

formula

  • C11H14O7S

inchi

  • InChI=1S/C11H14O7S/c12-9(3-6-11(13)14)7-8-1-4-10(5-2-8)18-19(15,16)17/h1-2,4-5,9,12H,3,6-7H2,(H,13,14)(H,15,16,17)

inchikey

  • GIYMZAJHBZLOGR-UHFFFAOYSA-N

mass

  • 290.291

monoisotopicmass

  • 290.04602

smiles

  • C=1C=C(C=CC1OS(=O)(=O)O)CC(CCC(O)=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88683

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