LMPK12100006
  LIPID_MAPS_STRUCTURE_DATABASE

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.8040   10.8327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6567   11.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5178   10.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5270    9.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4201    9.3173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039    9.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2948   10.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4018   11.3693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8132    9.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6743    9.3568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4291    8.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5817    7.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5907    6.8447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4469    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2943    6.8601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2853    7.8436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1473   11.3670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9424   11.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9606    9.3411    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629    9.8595    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
  1 18  1  0  0  0  0
  9 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12100006

> <COMMON_NAME>
Methyldalbergin

> <SYSTEMATIC_NAME>
6,7-Dimethoxy-4-phenylcoumarin

> <FORMULA>
C17H14O4

> <MASS>
282.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BUZZVHCRHOIKOC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O4/c1-19-15-8-13-12(11-6-4-3-5-7-11)9-17(18)21-14(13)10-16(15)20-2/h3-10H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193257

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
1235191

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1288010

> <CITATION>
-

$$$$