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

Preferred term

4-hydroxy-5-(3',4',5'-trihydroxyphenyl)-valeric acid-o-methyl-o-glucuronide  

Type

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

Broader concept

charge

  • 0

formula

  • C18H24O13

inchi

  • InChI=1S/C18H24O13/c19-8(3-7-4-9(20)12(23)10(21)5-7)1-2-11(22)29-6-30-18-15(26)13(24)14(25)16(31-18)17(27)28/h4-5,8,13-16,18-21,23-26H,1-3,6H2,(H,27,28)/t8?,13-,14-,15+,16-,18+/m0/s1

inchikey

  • GDEQVTXLETYPCM-GELMFUDPSA-N

mass

  • 448.376

monoisotopicmass

  • 448.12169

smiles

  • C=1(C=C(C=C(C1O)O)CC(CCC(OCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(O)=O)O)O)O)=O)O)O

subset

  • 2_STAR

synonym RELATED

  • (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-({[4-hydroxy-5-(3,4,5-trihydroxyphenyl)pentanoyl]oxy}methoxy)oxane-2-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:88691

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