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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 > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > 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 > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > 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 > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > 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 > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > [(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate

Preferred term

[(2r,3r)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-8-[(2r,3r)-3,5,7-trihydroxychroman-2-yl]benzo[7]annulen-1-yl]chroman-3-yl] 3,4,5-trihydroxybenzoate  

Type

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

Broader concept

charge

  • 0

formula

  • C36H28O16

inchi

  • InChI=1S/C36H28O16/c37-14-5-20(39)18-10-26(45)34(50-27(18)7-14)12-1-16-17(9-25(44)33(48)30(16)32(47)24(43)2-12)35-29(11-19-21(40)6-15(38)8-28(19)51-35)52-36(49)13-3-22(41)31(46)23(42)4-13/h1-9,26,29,34-35,37-42,44-46,48H,10-11H2,(H,43,47)/t26-,29-,34-,35-/m1/s1

inchikey

  • GPLOTACQBREROW-WQLSNUALSA-N

mass

  • 716.599

monoisotopicmass

  • 716.13773

smiles

  • O1[C@@]([C@H](OC(=O)C2=CC(O)=C(O)C(O)=C2)CC=3C1=CC(O)=CC3O)(C=4C5=CC([C@H]6OC=7C(C[C@H]6O)=C(O)C=C(O)C7)=CC(=O)C(O)=C5C(O)=C(O)C4)[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:140112

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