LMPK12100051
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.7206   12.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5868   12.8927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4527   12.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4527   11.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507   10.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2487   11.3559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2487   12.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507   12.9113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7210   11.3930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5868   10.8931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507    9.8376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4897    9.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4897    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507    7.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2117    8.3463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2117    9.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1147   12.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0776    7.8465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8549   12.8924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5868    9.8933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3507    6.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.4339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7742    9.4240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5037    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
  1 19  1  0  0  0  0
 10 20  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100051

> <COMMON_NAME>


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

> <FORMULA>
C18H16O6

> <MASS>
328.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KOAAZLIOOBKJEK-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O6/c1-21-11-7-15(23-3)18-12(9-17(20)24-16(18)8-11)10-4-5-14(22-2)13(19)6-10/h4-9,19H,1-3H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193339

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10336603

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 85718

> <CITATION>
-

$$$$