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Chemistry, part 1

Content language

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Concept information

organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > carbohydrate acid derivative > 5-(3',4'-dihydroxyphenyl)-gamma-valerolactone-3'-o-methyl-4'-o-glucuronide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O10

inchi

  • InChI=1S/C18H22O10/c1-25-11-7-8(6-9-3-5-12(19)26-9)2-4-10(11)27-16-14(21)13(20)15(17(22)23)28-18(16)24/h2,4,7,9,13-16,18,20-21,24H,3,5-6H2,1H3,(H,22,23)/t9?,13-,14-,15-,16?,18+/m1/s1

inchikey

  • CISWUCBSWWHCJB-WWHSGRCBSA-N

mass

  • 398.362

monoisotopicmass

  • 398.12130

smiles

  • C=1C(=CC(=C(C1)OC2[C@@H](O)O[C@H]([C@@H]([C@H]2O)O)C(O)=O)OC)CC3CCC(O3)=O

subset

  • 2_STAR

synonym RELATED

  • (2R,3R,4R,6S)-3,4,6-trihydroxy-5-{2-methoxy-4-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88694

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