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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavan > [4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > [4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > [4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > [4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > [4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > [4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid

Preferred term

[4-(3,5,7-trihydroxy-3,4-dihydro-2h-1-benzopyran-2-yl)phenyl]oxidanesulfonic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C15H14O8S

inchi

  • InChI=1S/C15H14O8S/c16-9-5-12(17)11-7-13(18)15(22-14(11)6-9)8-1-3-10(4-2-8)23-24(19,20)21/h1-6,13,15-18H,7H2,(H,19,20,21)

inchikey

  • GMDFXMLCKGSSSL-UHFFFAOYSA-N

mass

  • 354.330

monoisotopicmass

  • 354.04094

smiles

  • S(OC1=CC=C(C2OC=3C(CC2O)=C(O)C=C(O)C3)C=C1)(O)(=O)=O

subset

  • 2_STAR

synonym EXACT

  • [4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:193475

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