LMPK12100053
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7493   12.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6222   12.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4948   12.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4948   11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996   10.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3047   11.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3047   12.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996   12.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7493   11.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6222   10.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    9.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    9.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5319    8.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    7.7664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2673    8.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2673    9.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1774   12.8490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6222   13.8566    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1399    7.7636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3996    6.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8767   12.8489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6222    9.8262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.3777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8372    9.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7099    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
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
 10 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100053

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
8,3'-Dihydroxy-5,7,4'-trimethoxy-4-phenylcoumarin

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BZCWUSCPRCGNBH-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-11(12)19)10-7-15(20)25-18-16(10)13(23-2)8-14(24-3)17(18)21/h4-8,19,21H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14583718

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 85718

> <CITATION>
-

$$$$