Molecule

(2S)-7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one

Chemical Information

Molecular Image
InChI InChI=1S/C28H34O14/c1-11-21(32)23(34)25(36)27(38-11)42-26-24(35)22(33)19(10-29)41-28(26)39-14-7-15(30)20-16(31)9-17(40-18(20)8-14)12-3-5-13(37-2)6-4-12/h3-8,11,17,19,21-30,32-36H,9-10H2,1-2H3/t11-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
SMILES COC1=CC=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)C=C2O1
InChI Key NLAWPKPYBMEWIR-SKYQDXIQSA-N
Exact Mass 594.566 g/mol

Metadata Information

Field Value
NFDI4Chem Molecule ID nfdi4chem-mol89655
Source
Alternate Name
    Field Value
    No additional information available for this Dataset.
    Data-Source Molecule ID Data-Source
    CHEBI:66773 chebi
    LMPK12140333 lipidmaps
    CHEMBL451050 chembl
    123069 surechembl
    30423309 surechembl
    442456 pubchem
    8MUY4P95B4 fdasrs
    PD088115 probes_and_drugs
    DTXSID00933642 comptox
    Molport-003-939-146 molport
    The data in this table is sourced from UniChem at EBI.