LMPK12100060
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    7.5876   11.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4430   12.3581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2981   11.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2981   10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850   10.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0718   10.8403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0718   11.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850   12.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5876   10.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4430   10.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850    9.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3347    8.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3347    7.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850    7.3415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0352    7.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0352    8.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9581   12.3759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.3578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1850    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4407    9.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8847    7.3420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 10 20  1  0  0  0  0
 12 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100060

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,4',5'-Trihydroxy-5,2'-oxido-4-phenylcoumarin

> <FORMULA>
C15H8O6

> <MASS>
284.03

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MNLTYYVVVMDEEJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C15H8O6/c16-6-1-12-15-8(4-14(19)21-13(15)2-6)7-3-9(17)10(18)5-11(7)20-12/h1-5,16-18H

> <SMILES>
C1(O)C=C2OC3C=C(O)C(O)=CC=3C3=CC(=O)OC(=C32)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
159169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43485

> <CITATION>
3204377

$$$$