LMPK12100049
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.8125   11.9064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791   12.4068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5454   11.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5454   10.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439   10.3505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425   10.8692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3425   11.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439   12.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8127   10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791   10.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439    9.3502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825    8.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5825    7.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439    7.3610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3054    7.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3054    8.8530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2088   12.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4439    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1717    7.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9463   12.4066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6791    9.4058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9877    9.0066    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
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 10 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100049

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3',4'-Dihydroxy-5,7-dimethoxy-4-phenylcoumarin

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WRWXEWJZGBTCEB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-10-6-14(22-2)17-11(8-16(20)23-15(17)7-10)9-3-4-12(18)13(19)5-9/h3-8,18-19H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257552

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 85718

> <CITATION>
-

$$$$