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Concept information

Preferred term

(+) epicatechin 3 O gallate  

Type

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

charge

  • 0

formula

  • C22H18O10

inchi

  • InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m0/s1

inchikey

  • LSHVYAFMTMFKBA-FPOVZHCZSA-N

mass

  • 442.37230

monoisotopicmass

  • 442.09000

smiles

  • Oc1cc(O)c2C[C@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@@H](Oc2c1)c1ccc(O)c(O)c1

subset

  • 3_STAR

synonym EXACT

  • (2S,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:76126

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