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Concept information

... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > hydroxyflavan > catechin > epigallocatechin 3,5-digallate

Preferred term

epigallocatechin 3,5-digallate  

Type

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

Broader concept

charge

  • 0

formula

  • C29H22O15

inchi

  • InChI=1S/C29H22O15/c30-13-7-21-14(22(8-13)43-28(40)11-3-17(33)25(38)18(34)4-11)9-23(27(42-21)10-1-15(31)24(37)16(32)2-10)44-29(41)12-5-19(35)26(39)20(36)6-12/h1-8,23,27,30-39H,9H2/t23-,27-/m1/s1

inchikey

  • RKUDRJTZBDEGNP-YIXXDRMTSA-N

mass

  • 610.477

monoisotopicmass

  • 610.09587

smiles

  • C1[C@H]([C@H](OC2=CC(=CC(=C21)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136605

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