LMPK12100046
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.6897   12.3765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5563   12.8769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226   12.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4226   11.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3213   10.8207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2197   11.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2197   12.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3210   12.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6897   11.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5563   10.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3213    9.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4597    9.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598    8.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3213    7.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1826    8.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1826    9.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0861   12.8770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0490    7.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5563    9.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8234   12.8768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3213    6.8304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1350    6.3606    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; 43485

> <CITATION>
-

$$$$