LMPK12100036
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.3632    9.8125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0765   10.2244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7896    9.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7896    8.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290    8.5320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2684    8.9590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2684    9.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290   10.2396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3635    8.9895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0765    8.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290    7.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    7.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8201    6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290    6.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381    6.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2381    7.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9817   10.2246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0765    7.7542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5290    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    8.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6502    7.7539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6499   10.2244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9513    7.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6430    7.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.8492    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
 10 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 22  1  0  0  0  0
 16 23  1  0  0  0  0
  9 20  1  0  0  0  0
 20 21  2  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100036

> <COMMON_NAME>
Sisafolin

> <SYSTEMATIC_NAME>
5,4'-Dihydroxy-7,2'-dimethoxy-6-formyl-4-phenylcoumarin

> <FORMULA>
C18H14O7

> <MASS>
342.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZXKVXOALVPANGD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O7/c1-23-13-5-9(20)3-4-10(13)11-6-16(21)25-15-7-14(24-2)12(8-19)18(22)17(11)15/h3-8,20,22H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257545

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$