LMPK12100054
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    6.3837    9.8198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982   10.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    9.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8124    8.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531    8.5369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939    8.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2939    9.8199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531   10.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3837    8.9953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    8.5829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531    7.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8430    7.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8430    6.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531    6.0722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2633    6.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2633    7.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0081   10.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982   11.0570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5531    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9775    6.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6695   10.2322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0982    7.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4547    7.3867    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
 14 19  1  0  0  0  0
 15 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
M  END
> <LM_ID>
LMPK12100054

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
8,3',4'-Trihydroxy-5,7-dimethoxy-4-phenylcoumarin

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PAGBIWRSIJRQBS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-7-13(23-2)16(21)17-15(12)9(6-14(20)24-17)8-3-4-10(18)11(19)5-8/h3-7,18-19,21H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14309739

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$