LMPK12100007
  LIPID_MAPS_STRUCTURE_DATABASE

 20 22  0  0  0  0  0  0  0  0999 V2000
    6.9146   11.3675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7745   10.8710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6344   11.3675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   10.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939    9.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3854    9.3272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2768    9.8418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2768   10.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3854   11.3859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7749    9.8788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6344    9.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3854    8.3344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5306    7.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5306    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3854    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2400    6.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2400    7.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1366   11.3676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9150    9.3824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  8 18  2  0  0  0  0
 10 19  1  0  0  0  0
 19 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100007

> <COMMON_NAME>
Isodalbergin

> <SYSTEMATIC_NAME>
7-Hydroxy-6-methoxy-4-phenylcoumarin

> <FORMULA>
C16H12O4

> <MASS>
268.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JHRWCFFXJIFILI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O4/c1-19-15-7-12-11(10-5-3-2-4-6-10)8-16(18)20-14(12)9-13(15)17/h2-9,17H,1H3

> <SMILES>
OC1C(OC)=CC2C(C3C=CC=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318543

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 107308

> <CITATION>
-

$$$$