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Concept information

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

Preferred term

3-hydroxy-5-sulfino-2-[3-(sulfooxy)phenyl]-3,4-dihydro-2h-1-benzopyran-7-olate  

Type

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

Broader concept

charge

  • 0

formula

  • C15H14O9S2

inchi

  • InChI=1S/C15H14O9S2/c16-9-5-13-11(14(6-9)25(18)19)7-12(17)15(23-13)8-2-1-3-10(4-8)24-26(20,21)22/h1-6,12,15-17H,7H2,(H,18,19)(H,20,21,22)

inchikey

  • NECJPUAWDVKCNT-UHFFFAOYSA-N

mass

  • 402.390

monoisotopicmass

  • 402.00792

smiles

  • S(O)(=O)C=1C=2CC(O)C(OC2C=C(O)C1)C3=CC(OS(O)(=O)=O)=CC=C3

subset

  • 2_STAR

synonym EXACT

  • 3,7-dihydroxy-2-(3-sulooxyphenyl)-3,4-dihydro-2H-chromene-5-sulinic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169448

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