LMPK12112725
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6416    7.8738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6473    8.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5099    7.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3894    7.8639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3952    8.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5242    9.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1430    8.8631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2719    9.3726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    9.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8994    8.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8938    7.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    7.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0104    9.3786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0068   10.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1356   10.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2682   10.3976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    6.3650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5099    6.3552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8808   10.9077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0794    9.3662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2003    7.3957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9871    7.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0825    7.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8707    8.8819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.0932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  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  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
 10 20  1  0  0  0  0
  4 21  1  0  0  0  0
 21 22  1  0  0  0  0
 11 23  1  0  0  0  0
 13 24  1  0  0  0  0
 20 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112725

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-6-methyl-4H-1-benzopyran-4-one

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CXBGNRLGDYQLEX-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-8-12(23-2)7-13-14(15(8)21)16(22)18(24-3)17(25-13)9-4-5-10(19)11(20)6-9/h4-7,19-21H,1-3H3

> <SMILES>
C12=C(O)C(C)=C(OC)C=C1OC(C1=CC=C(O)C(O)=C1)=C(OC)C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10545366

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 653098

> <CITATION>
-

$$$$