LMPK12100010
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.7971   12.3335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6609   12.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5243   12.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5243   11.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198   10.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3152   11.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3152   12.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198   12.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   11.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6609   10.8382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198    9.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5613    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5613    8.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198    7.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2782    8.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2782    9.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1785   12.8323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9340   10.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1415    7.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4198    6.8062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9337   12.8321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1918    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
  9 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100010

> <COMMON_NAME>
Melannein

> <SYSTEMATIC_NAME>
6,3'-Dihydroxy-7,4'-dimethoxy-4-phenylcoumarin

> <FORMULA>
C17H14O6

> <MASS>
314.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XZOXEPMJIGHPMG-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O6/c1-21-14-4-3-9(5-12(14)18)10-7-17(20)23-15-8-16(22-2)13(19)6-11(10)15/h3-8,18-19H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
67395

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15560441

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1353437

> <CITATION>
-

$$$$