Mrv0541 11201311512D          

 21 23  0  0  0  0            999 V2000
    5.6203   -5.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9078   -5.5365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6203   -4.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3370   -5.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -5.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3370   -3.8824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578   -5.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9078   -3.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1953   -4.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0578   -4.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3370   -6.3699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7703   -3.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9037   -6.3615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4787   -5.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4787   -3.8865    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7620   -3.0532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787   -4.2907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4787   -6.3615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1912   -3.8782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4745   -2.6407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1912   -3.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  1  1  0  0  0  0
  5  2  1  0  0  0  0
  6  3  1  0  0  0  0
  7  4  1  0  0  0  0
  8  3  2  0  0  0  0
  9  5  2  0  0  0  0
 10  7  1  0  0  0  0
 11  4  2  0  0  0  0
 12 10  1  0  0  0  0
 13  2  1  0  0  0  0
 14  5  1  0  0  0  0
 15  9  1  0  0  0  0
 16 12  2  0  0  0  0
 17 12  1  0  0  0  0
 18 14  1  0  0  0  0
 19 17  2  0  0  0  0
 20 16  1  0  0  0  0
 21 19  1  0  0  0  0
 10  6  1  0  0  0  0
  8  9  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
> <ID>
CHEBI:67376

> <NAME>
dihydrooroxylin A

> <DEFINITION>
A dihydroxyflavanone that is flavanone substituted by hydroxy groups at positions 5 and 7 and a methoxy group at position 6. Isolated from Pisonia aculeata, it exhibits antitubercular activity.

> <STAR>
3

> <SYNONYM>
5,7-dihydroxy-6-methoxyflavanone

> <IUPAC_NAME>
5,7-dihydroxy-6-methoxy-2-phenyl-2,3-dihydro-4H-chromen-4-one

> <FORMULA>
C16H14O5

> <MASS>
286.27940

> <MONOISOTOPIC_MASS>
286.08412

> <CHARGE>
0

> <SMILES>
COc1c(O)cc2OC(CC(=O)c2c1O)c1ccccc1

> <INCHI>
InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3

> <INCHIKEY>
QUAPPCXFYKSDSV-UHFFFAOYSA-N

> <REAXYS_REGISTRY_NUMBER>
294379

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12140611

> <PUBMED_CITATION>
15279992; 19555121; 21542597; 9621415; 9667023

$$$$