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

Preferred term

(-)-gallocatechin gallate  

Type

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

Broader concept

alt_id

  • CHEBI:95002

charge

  • 0

formula

  • C22H18O11

has_functional_parent

has_role

inchi

  • InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21+/m1/s1

inchikey

  • WMBWREPUVVBILR-NQIIRXRSSA-N

is_enantiomer_of

mass

  • 458.375

monoisotopicmass

  • 458.08491

smiles

  • OC1=CC(O)=C2C[C@@H](OC(=O)C3=CC(O)=C(O)C(O)=C3)[C@@H](OC2=C1)C1=CC(O)=C(O)C(O)=C1

subset

  • 3_STAR

synonym EXACT

  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

synonym RELATED

  • (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol 3-(3,4,5-trihydroxybenzoate)
  • (2S,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
  • (-)-gallocatechin-3-O-gallate
  • (-)-gallocatechol gallate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:156271

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