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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > ent-epicatechin-(4alpha->8)-ent-epicatechin 3-gallate

Preferred term

ent-epicatechin-(4alpha->8)-ent-epicatechin 3-gallate  

Type

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

Broader concept

charge

  • 0

formula

  • C37H30O16

inchi

  • InChI=1S/C37H30O16/c38-16-9-23(44)29-28(10-16)51-34(14-2-4-19(40)22(43)6-14)36(53-37(50)15-7-25(46)32(49)26(47)8-15)31(29)30-24(45)12-20(41)17-11-27(48)33(52-35(17)30)13-1-3-18(39)21(42)5-13/h1-10,12,27,31,33-34,36,38-49H,11H2

inchikey

  • BXWABJPTCUDBMM-UHFFFAOYSA-N

mass

  • 730.631

monoisotopicmass

  • 730.15338

smiles

  • O1C(C(OC(=O)C2=CC(O)=C(O)C(O)=C2)C(C=3C=4OC(C(O)CC4C(O)=CC3O)C5=CC(O)=C(O)C=C5)C=6C1=CC(O)=CC6O)C7=CC(O)=C(O)C=C7

subset

  • 2_STAR

synonym EXACT

  • [2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186526

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