LMPK12111236
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.8092    8.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8092    7.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    7.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5578    7.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5578    8.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    9.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4323    7.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    7.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3065    8.7161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4322    9.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4323    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1808    9.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0717    8.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9628    9.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9628   10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0717   10.7644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1808   10.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    9.2210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6835    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0717   11.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    7.2020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8373   10.7548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9601   10.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  0  0  0  0
 23 24  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
 16 20  1  0  0  0  0
 15 23  1  0  0  0  0
  2 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111236

> <COMMON_NAME>
Desmethoxycentaureidin

> <SYSTEMATIC_NAME>
5,7,3'-Trihydroxy-6,4'-dimethoxyflavone

> <FORMULA>
C17H14O7

> <MASS>
330.07

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Demethoxycentaureidin

> <INCHI_KEY>
VCWFILUULGOFCD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H14O7/c1-22-12-4-3-8(5-9(12)18)13-6-10(19)15-14(24-13)7-11(20)17(23-2)16(15)21/h3-7,18,20-21H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5469524

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1308045

> <CITATION>
-

$$$$