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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > phenols > polyphenol > epiafzelechin 3-gallate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > epiafzelechin 3-gallate
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > organic hydroxy compound > phenols > polyphenol > epiafzelechin 3-gallate
organic aromatic compound > phenols > polyphenol > epiafzelechin 3-gallate
... > organooxygen compound > ester > carboxylic ester > benzoate ester > gallate ester > epiafzelechin 3-gallate
... > organooxygen compound > carbonyl compound > carboxylic ester > benzoate ester > gallate ester > epiafzelechin 3-gallate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavans > epiafzelechin 3-gallate

Preferred term

epiafzelechin 3-gallate  

Type

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

Broader concept

charge

  • 0

formula

  • C22H18O9

has_functional_parent

has_role

inchi

  • InChI=1S/C22H18O9/c23-12-3-1-10(2-4-12)21-19(9-14-15(25)7-13(24)8-18(14)30-21)31-22(29)11-5-16(26)20(28)17(27)6-11/h1-8,19,21,23-28H,9H2/t19-,21-/m1/s1

inchikey

  • SDZPYNMXGUHFMZ-TZIWHRDSSA-N

mass

  • 426.374

monoisotopicmass

  • 426.09508

smiles

  • C1(=CC=2O[C@@H]([C@@H](CC2C(=C1)O)OC(C3=CC(=C(C(=C3)O)O)O)=O)C4=CC=C(C=C4)O)O

subset

  • 3_STAR

synonym EXACT

  • (2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate

synonym RELATED

  • (-)-epiafzelechin 3-gallate
  • (-)-epiafzelechin 3-O-gallate
  • Epiafzelechin 3-O-gallate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136552

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