LMPK12100005
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.2725   10.1403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9908   10.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7089   10.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7089    9.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537    8.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1984    9.2804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1984   10.1404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537   10.5704    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2725    9.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9908    8.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537    8.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7396    7.6090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7396    6.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537    6.3725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1676    6.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1676    7.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9164   10.5550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.5549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8857    6.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4537    5.5432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9659    5.2475    0.0000 C   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
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100005

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,3'-Dihydroxy-4'-methoxy-4-phenylcoumarin

> <FORMULA>
C16H12O5

> <MASS>
284.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XJDROYOXULNAIQ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-16(19)21-15-7-10(17)3-4-11(12)15/h2-8,17-18H,1H3

> <SMILES>
C1(O)C=CC2C(C3C=C(O)C(OC)=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197136

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14283882

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$