Marvin  02180812092D          

 20 22  0  0  0  0            999 V2000
    0.0000    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7143   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    0.8249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1433    0.8248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1433    1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    2.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5723    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  1  2  0  0  0  0
  3  4  1  0  0  0  0
  4 11  2  0  0  0  0
  3  5  1  0  0  0  0
  5 12  1  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7 13  1  0  0  0  0
  5  8  2  0  0  0  0
  2  9  1  0  0  0  0
  7  9  2  0  0  0  0
  9 14  1  0  0  0  0
  8 10  1  0  0  0  0
  6 10  2  0  0  0  0
 10 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <ID>
CHEBI:5262

> <NAME>
galangin

> <DEFINITION>
A 7-hydroxyflavonol with additional hydroxy groups at positions 3 and 5 respectively; a growth inhibitor of breast tumor cells.

> <STAR>
3

> <SYNONYM>
teptochrysin; norizalpinin; Galangin; 3,5,7-triOH-flavone; 3,5,7-Trihydroxyflavone; 3,5,7-trihydroxy-2-phenyl-4H-benzopyran-4-one

> <IUPAC_NAME>
3,5,7-trihydroxy-2-phenyl-4H-chromen-4-one

> <FORMULA>
C15H10O5

> <MASS>
270.23690

> <MONOISOTOPIC_MASS>
270.05282

> <CHARGE>
0

> <SMILES>
Oc1cc(O)c2c(c1)oc(-c1ccccc1)c(O)c2=O

> <INCHI>
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

> <INCHIKEY>
VCCRNZQBSJXYJD-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
272179

> <CAS_REGISTRY_NUMBER>
548-83-4

> <REAXYS_REGISTRY_NUMBER>
272179

> <CHEMIDPLUS>
548-83-4

> <KEGG_COMPOUND_ACCESSION>
C10044

> <KNAPSACK_ACCESSION>
C00004533

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12111653

> <METACYC_ACCESSION>
CPD-13502

> <WIKIPEDIA_ACCESSION>
Galangin

> <PUBMED_CITATION>
22887049; 22908567; 22985747; 23143152; 23363068; 28166217

$$$$