LMPK12100011
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    7.7498   10.6009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   11.1007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808   10.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4808    9.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3784    9.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2757    9.5648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2757   10.6010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3784   11.1192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7501    9.6019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155    9.1024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3784    8.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5179    7.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5179    6.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3784    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2387    6.5573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2387    7.5509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1410   11.1007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    9.1024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6155   12.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8846   11.1006    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3912   12.5478    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
  9 18  1  0  0  0  0
  2 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100011

> <COMMON_NAME>
Kuhlmannin

> <SYSTEMATIC_NAME>
6-Hydroxy-7,8-dimethoxy-4-phenylcoumarin

> <FORMULA>
C17H14O5

> <MASS>
298.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ABUBCBFUQXIEAU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O5/c1-20-16-13(18)8-12-11(10-6-4-3-5-7-10)9-14(19)22-15(12)17(16)21-2/h3-9,18H,1-2H3

> <SMILES>
C1(OC)C(O)=CC2C(C3C=CC=CC=3)=CC(=O)OC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
108605

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
4412068

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53897

> <CITATION>
-

$$$$