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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 > glucosiduronic acid > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-o-methyl-5'-o-glucuronide
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > glycosiduronic acid > glucosiduronic acid > 5-(3',4',5'-trihydroxyphenyl)-gamma-valerolactone-o-methyl-5'-o-glucuronide

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C18H22O11

inchi

  • InChI=1S/C18H22O11/c1-26-9-5-7(4-8-2-3-11(19)27-8)6-10(12(9)20)28-18-15(23)13(21)14(22)16(29-18)17(24)25/h5-6,8,13-16,18,20-23H,2-4H2,1H3,(H,24,25)/t8?,13-,14-,15+,16-,18+/m1/s1

inchikey

  • KPVLDYMZFUPBJG-VHXBZSDJSA-N

mass

  • 414.361

monoisotopicmass

  • 414.11621

smiles

  • C=1(C=C(C=C(C1O)O[C@H]2O[C@H]([C@@H]([C@H]([C@@H]2O)O)O)C(O)=O)CC3OC(CC3)=O)OC

subset

  • 2_STAR

synonym RELATED

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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:89550

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