LMPK12111230
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0     0  0            999 V2000
    7.6007    8.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6007    7.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    7.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    7.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3376    8.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060    7.3633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0743    7.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0743    8.8674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060    9.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2060    6.5815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9424    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8277    8.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128    9.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7128   10.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8277   10.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9424   10.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4691    6.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5975   10.9015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8277   11.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    7.3633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7323    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 22 23  1  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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 16 21  1  0  0  0  0
  2 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111230

> <COMMON_NAME>
Nepetin

> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one

> <FORMULA>
C16H12O7

> <MASS>
316.06

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Eupafolin; 6-Methoxyluteolin

> <INCHI_KEY>
FHHSEFRSDKWJKJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
40138

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5317284

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$