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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > proanthocyanidin > epigallocatechin-(4beta->8)-epicatechin-3-o-gallate ester

Preferred term

epigallocatechin-(4beta->8)-epicatechin-3-o-gallate ester  

Type

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

Broader concept

charge

  • 0

formula

  • C37H30O17

inchi

  • InChI=1S/C37H30O17/c38-15-8-20(42)28-26(9-15)52-35(13-4-22(44)31(48)23(45)5-13)33(50)30(28)29-21(43)11-18(40)16-10-27(53-37(51)14-6-24(46)32(49)25(47)7-14)34(54-36(16)29)12-1-2-17(39)19(41)3-12/h1-9,11,27,30,33-35,38-50H,10H2/t27-,30-,33-,34-,35-/m1/s1

inchikey

  • LQQNPVZIFKLQPE-RGOYVLDUSA-N

mass

  • 746.625

monoisotopicmass

  • 746.14830

smiles

  • O[C@H]1[C@H](Oc2cc(O)cc(O)c2[C@@H]1c1c(O)cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc12)c1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1

subset

  • 2_STAR

synonym EXACT

  • Epigallocatechin-(4beta->8)-epicatechin-3-O-gallate ester

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4807

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