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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > epicatechin 3',4'-dimethyl ether

Preferred term

epicatechin 3',4'-dimethyl ether  

Type

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

Broader concept

charge

  • 0

formula

  • C17H18O6

inchi

  • InChI=1S/C17H18O6/c1-21-14-4-3-9(5-16(14)22-2)17-13(20)8-11-12(19)6-10(18)7-15(11)23-17/h3-7,13,17-20H,8H2,1-2H3/t13-,17-/m1/s1

inchikey

  • INGGXWWOTDZRPX-CXAGYDPISA-N

mass

  • 318.325

monoisotopicmass

  • 318.11034

smiles

  • O1[C@@H]([C@H](O)CC=2C1=CC(O)=CC2O)C3=CC(OC)=C(OC)C=C3

subset

  • 2_STAR

synonym EXACT

  • (2R,3R)-2-(3,4-dimethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:197156

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