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Chemistry, part 2

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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 > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-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 > 4'-o-methylepicatechin-3-o-gallate
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > 4'-o-methylepicatechin-3-o-gallate

Preferred term

4'-o-methylepicatechin-3-o-gallate  

Type

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

Broader concept

charge

  • 0

formula

  • C23H20O10

has_role

inchi

  • InChI=1S/C23H20O10/c1-31-18-3-2-10(4-15(18)26)22-20(9-13-14(25)7-12(24)8-19(13)32-22)33-23(30)11-5-16(27)21(29)17(28)6-11/h2-8,20,22,24-29H,9H2,1H3/t20-,22-/m1/s1

inchikey

  • CEXLPAFKWSVHSK-IFMALSPDSA-N

mass

  • 456.39890

monoisotopicmass

  • 456.10565

smiles

  • COc1ccc(cc1O)[C@H]1Oc2cc(O)cc(O)c2C[C@H]1OC(=O)c1cc(O)c(O)c(O)c1

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70257

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