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Concept information

... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > isoflavones > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-sulphate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > cyclic ketone > isoflavones > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-sulphate
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > isoflavonoid > isoflavones > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-sulphate

Preferred term

5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-3'-o-sulphate  

Type

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

Broader concept

charge

  • 0

formula

  • C11H12O8S

inchi

  • InChI=1S/C11H12O8S/c12-8-4-6(3-7-1-2-10(13)18-7)5-9(11(8)14)19-20(15,16)17/h4-5,7,12,14H,1-3H2,(H,15,16,17)

inchikey

  • OMISYDASOKPVDK-UHFFFAOYSA-N

mass

  • 304.275

monoisotopicmass

  • 304.02529

smiles

  • C=1(C=C(C=C(C1O)O)CC2OC(CC2)=O)OS(=O)(=O)O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88701

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