LMPK12100046
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.3440   10.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590   10.6235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7737   10.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7737    9.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    8.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2563    9.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2563   10.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5149   10.6388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3440    9.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590    8.9730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    8.1017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8043    7.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8044    6.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    6.4605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    6.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2257    7.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9711   10.6236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9405    6.4581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0590    8.1477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6293   10.6234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5151    5.6351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1864    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
 15 18  1  0  0  0  0
 10 19  1  0  0  0  0
  1 20  1  0  0  0  0
 14 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100046

> <COMMON_NAME>


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

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XFJIBWUKHVUGHD-UHFFFAOYSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14159730

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$