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Concept information

... > organooxygen compound > carbonyl compound > carboxylic acid > monocarboxylic acid > alpha,beta-unsaturated monocarboxylic acid > cinnamic acids > hydroxycinnamic acid > (2s,3s)-2-/{[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy/}-3,4-dihydroxy-2-methylbutanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > olefinic compound > cinnamic acids > hydroxycinnamic acid > (2s,3s)-2-/{[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy/}-3,4-dihydroxy-2-methylbutanoic acid

Preferred term

(2s,3s)-2-/{[(2e)-3-(3,4-dihydroxyphenyl)-2-propenoyl]oxy/}-3,4-dihydroxy-2-methylbutanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C14H16O8

inchi

  • InChI=1S/C14H16O8/c1-14(13(20)21,11(18)7-15)22-12(19)5-3-8-2-4-9(16)10(17)6-8/h2-6,11,15-18H,7H2,1H3,(H,20,21)/b5-3+/t11-,14-/m0/s1

inchikey

  • VFNQXFLXWICPJF-ACIZLPDLSA-N

mass

  • 312.274

monoisotopicmass

  • 312.08452

smiles

  • O([C@]([C@@H](O)CO)(C)C(O)=O)C(=O)/C=C/C1=CC(O)=C(O)C=C1

subset

  • 2_STAR

synonym EXACT

  • (2S,3S)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxy-2-methylbutanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:182482

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