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Concept information

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

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C37H30O18

has_role

inchi

  • InChI=1S/C37H30O18/c38-14-7-17(40)27-25(8-14)53-35(12-3-21(44)31(49)22(45)4-12)33(51)29(27)28-18(41)10-16(39)15-9-26(54-37(52)13-5-23(46)32(50)24(47)6-13)34(55-36(15)28)11-1-19(42)30(48)20(43)2-11/h1-8,10,26,29,33-35,38-51H,9H2/t26-,29-,33-,34-,35-/m1/s1

inchikey

  • JSBXKZFDEDBAQA-WUFIRYPCSA-N

mass

  • 762.62330

monoisotopicmass

  • 762.14321

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)c1cc(O)c(O)c(O)c1)c1cc(O)c(O)c(O)c1

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:68142

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