(-)-gallocatechin-3-O-gallate

Chemical Formula:

C₂₂H₁₈O₁₁

Molecular Weight:

458.378 Daltons

Monoisotopic Mass:

458.08491142089997 Daltons

SMILES:

C1(C(O)=C(O)C(O)=CC=1C3(OC4(C(CC(OC(=O)C2(C=C(O)C(O)=C(O)C=2))3)=C(O)C=C(O)C=4)))

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-NQIIRXRSSA-N

Synonyms

(-)-gallocatechol gallate
(-)-gallocatechin gallate

Databases

MetaCyc: CPD-16531

ChEBI: 95002

ChemSpider: 172662

PubChem (CID): 199472

MetaNetX: MNXM148562