digallate

Chemical Formula:

C₁₄H₉O₉

Molecular Weight:

321.22 Daltons

Monoisotopic Mass:

322.03248191989996 Daltons

SMILES:

C(=O)([O-])C2(C=C(O)C(O)=C(OC(C1(C=C(O)C(O)=C(O)C=1))=O)C=2)

InChI:

1S/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)/p-1

InChIKey:

COVFEVWNJUOYRL-UHFFFAOYSA-M

Synonyms

Databases

MetaCyc: CPD-1118

ChemSpider: 4573730

PubChem (CID): 54711004

ChEBI: 17866

KEGG: C01572

CAS: 536-08-3

Seed: cpd01108

MetaNetX: MNXM4570