LMPK12100047
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.8465   11.8670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7070   12.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5671   11.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5671   10.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591   10.3221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3514   10.8371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3514   11.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591   12.3822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8468   10.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7070   10.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591    9.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6040    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6040    7.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591    7.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3145    7.8475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3145    8.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2115   12.3638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4591    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9863   12.3635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7070    9.3842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9183    8.9288    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
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
 10 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100047

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
4'-Hydroxy-5,7-dimethoxy-4-phenylcoumarin

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZCQHGWFKCJPSTB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-20-12-7-14(21-2)17-13(9-16(19)22-15(17)8-12)10-3-5-11(18)6-4-10/h3-9,18H,1-2H3

> <SMILES>
C1(OC)C=C(OC)C2C(C3C=CC(O)=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184222

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
366371

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 85718

> <CITATION>
-

$$$$