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

Preferred term

4'-methylcatechin 3-sulfate  

Type

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

Broader concept

charge

  • 0

formula

  • C16H16O9S

has_functional_parent

inchi

  • InChI=1S/C16H16O9S/c1-23-13-3-2-8(4-12(13)19)16-15(25-26(20,21)22)7-10-11(18)5-9(17)6-14(10)24-16/h2-6,15-19H,7H2,1H3,(H,20,21,22)/t15-,16+/m0/s1

inchikey

  • MTZDDADAYDKOAU-JKSUJKDBSA-N

mass

  • 384.360

monoisotopicmass

  • 384.05150

smiles

  • C1=CC(=C(C=C1[C@@H]2[C@H](CC3=C(C=C(C=C3O2)O)O)OS(O)(=O)=O)O)OC

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149589

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