LMPK12100061
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.7187   12.3046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5611   12.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4357   12.3613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4692   11.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3763   10.8485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2496   11.3917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2160   12.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3089   12.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513   11.3138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6261   10.8466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4098    9.8215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5728    9.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6050    8.3154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4746    7.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3119    8.3713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2797    9.3569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0749   12.9155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6559    9.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1708    7.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8598   12.8005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4746    6.8588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3378    6.3605    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
 10 18  1  0  0  0  0
 12 18  1  0  0  0  0
 15 19  1  0  0  0  0
  1 20  1  0  0  0  0
 14 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100061

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5'-Hydroxy-7,4'-dimethoxy-5,2'-oxido-4-phenylcoumarin

> <FORMULA>
C17H12O6

> <MASS>
312.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZXZGQGQLKDSDFC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H12O6/c1-20-8-3-14-17-10(6-16(19)23-15(17)4-8)9-5-11(18)13(21-2)7-12(9)22-14/h3-7,18H,1-2H3

> <SMILES>
C1(OC)C=C2OC3C=C(OC)C(O)=CC=3C3=CC(=O)OC(=C32)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188042

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
183408

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43485

> <CITATION>
3204377

$$$$