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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 > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > hydroxyflavan > catechin > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > isophylloflavanine
... > 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 > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > phenylpropanoid > flavans > hydroxyflavan > catechin > isophylloflavanine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > flavonoids > flavonoid > flavans > hydroxyflavan > catechin > isophylloflavanine
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > isophylloflavanine
... > 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 > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > isophylloflavanine
... > 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 > isophylloflavanine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > isophylloflavanine

Preferred term

isophylloflavanine  

Type

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

Broader concept

charge

  • 0

formula

  • C35H32O13

inchi

  • InChI=1S/C35H32O13/c36-19(5-1-16-2-6-22(37)25(40)9-16)12-31(44)46-30-13-21-29(47-34(30)18-4-8-24(39)27(42)11-18)15-28(43)33-20(14-32(45)48-35(21)33)17-3-7-23(38)26(41)10-17/h2-4,6-11,15,19-20,30,34,36-43H,1,5,12-14H2/t19-,20-,30-,34+/m0/s1

inchikey

  • KANDXLFAMPKTSR-WAVQYHQUSA-N

mass

  • 660.628

monoisotopicmass

  • 660.18429

smiles

  • O1[C@@H]([C@@H](OC(=O)C[C@@H](O)CCC2=CC(O)=C(O)C=C2)CC=3C=4OC(=O)C[C@H](C4C(O)=CC13)C5=CC(O)=C(O)C=C5)C6=CC(O)=C(O)C=C6

subset

  • 2_STAR

synonym EXACT

  • [(4S,8R,9S)-4,8-bis(3,4-dihydroxyphenyl)-5-hydroxy-2-oxo-4,8,9,10-tetrahydro-3H-pyrano[2,3-h]chromen-9-yl] (3S)-5-(3,4-dihydroxyphenyl)-3-hydroxypentanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187288

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