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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > (-)-epicatechin-(4beta->8)-(+)-gallocatechin
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > proanthocyanidin > (-)-epicatechin-(4beta->8)-(+)-gallocatechin
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavonoid oligomer > biflavonoid > (-)-epicatechin-(4beta->8)-(+)-gallocatechin

Preferred term

(-)-epicatechin-(4beta->8)-(+)-gallocatechin  

Type

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

charge

  • 0

formula

  • C30H26O13

has_functional_parent

has_role

inchi

  • InChI=1S/C30H26O13/c31-12-6-17(35)23-22(7-12)42-29(10-1-2-14(32)16(34)3-10)27(41)25(23)24-18(36)9-15(33)13-8-21(39)28(43-30(13)24)11-4-19(37)26(40)20(38)5-11/h1-7,9,21,25,27-29,31-41H,8H2/t21-,25+,27+,28+,29+/m0/s1

inchikey

  • YJMNEZANCYQLJR-JBOGGYFWSA-N

mass

  • 594.51960

monoisotopicmass

  • 594.13734

smiles

  • O[C@H]1Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](Oc4cc(O)cc(O)c34)c3ccc(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1

subset

  • 3_STAR

synonym EXACT

  • (2R,2'R,3R,3'S,4R)-2-(3,4-dihydroxyphenyl)-2'-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:75672

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