Molecule

3,5,6,8-tetrahydroxy-1-methyl-9,10-dioxo-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-2-carboxylic acid

Chemical Information

Molecular Image
InChI InChI=1S/C22H20O13/c1-4-8-5(2-6(24)9(4)22(33)34)13(25)10-11(15(8)27)16(28)12(18(30)17(10)29)21-20(32)19(31)14(26)7(3-23)35-21/h2,7,14,19-21,23-24,26,28-32H,3H2,1H3,(H,33,34)/t7-,14-,19+,20-,21+/m1/s1
SMILES CC1=C2C(=O)C3=C(C(=O)C2=CC(O)=C1C(=O)O)C(O)=C(O)C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C3O
InChI Key DGQLVPJVXFOQEV-JNVSTXMASA-N
Exact Mass 492.400 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol2983
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEBI:78310 chebi
    CHEMBL263094 chembl
    1808534 surechembl
    29388396 surechembl
    29664249 surechembl
    30287626 surechembl
    10255083 pubchem
    PD163979 probes_and_drugs
    CID8Z8N95N fdasrs
    DTXSID9022817 comptox
    Molport-006-823-907 molport
    The data in this table is sourced from UniChem at EBI.