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Concept information

organooxygen compound > ether > aromatic ether > methoxybenzenes > 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenols > 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenols > 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide

Preferred term

5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-o-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O10

inchi

  • InChI=1S/C18H22O10/c19-9-3-1-7(5-8-2-4-11(20)27-8)6-10(9)28-17-12(18(25)26)13(21)14(22)15(23)16(17)24/h1,3,6,8,12-17,19,21-24H,2,4-5H2,(H,25,26)

inchikey

  • RALBOGKBFZBDKY-UHFFFAOYSA-N

mass

  • 398.362

monoisotopicmass

  • 398.12130

smiles

  • C1CC(OC1CC=2C=C(C(=CC2)O)OC3C(C(C(C(C3C(O)=O)O)O)O)O)=O

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89287

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