LMPK12050086
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5651   10.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5651    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972    8.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2297    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2297   10.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3972   10.7852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620    8.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    9.3437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942   10.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620   10.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.7852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266    8.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7266    7.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6164    7.3217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5063    7.8355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5063    8.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6164    9.3769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0620    7.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6164    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8942    7.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3387    7.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6345    8.1030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050086

> <COMMON_NAME>
Koparin

> <SYSTEMATIC_NAME>
3-(2,3-Dihydroxy-4-methoxyphenyl)-7-hydroxy-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O6

> <MASS>
300.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SMOFGXHPWCTYQD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O6/c1-21-12-5-4-9(15(19)16(12)20)11-7-22-13-6-8(17)2-3-10(13)14(11)18/h2-7,17,19-20H,1H3

> <SMILES>
C1(O)=CC2OC=C(C3C=CC(OC)=C(O)C=3O)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0134006

> <CHEBI_ID>
197023

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318834

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 24962

> <CITATION>
-

$$$$