Substance
  • Substance Name: epigallocatechin gallate
  • Formula: C22H18O11
  • Molecular Weight: 458.4 g/mol
  • Identifiers:
    • casrn: 989-51-5
    • pubchemId: 65064
    • iupacname: [(2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
    • inchi: InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1
    • inchikey: WMBWREPUVVBILR-WIYYLYMNSA-N
    • csmiles: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    • ismiles: C1[C@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
    • wikidataId: Q393339
    • chemspiderId: 58575
    • dsstoxcmpId: DTXCID80567
    • chemblId: CHEMBL297453
    • ecnumber: 619-381-5
epigallocatechin gallate
Systems and Datasets