LMPK12112762
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.1148    8.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    7.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9350    7.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550    7.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7550    8.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9350    9.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750    7.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3950    7.7812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3950    8.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750    9.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5750    6.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2151    9.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509    8.7190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8866    9.2014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8866   10.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509   10.6491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2151   10.1666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9350    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0509   11.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2151    7.3077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4918    8.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7069   10.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7601   10.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  8 20  1  0  0  0  0
  1 22  1  0  0  0  0
 15 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12112762

> <COMMON_NAME>
Ayanin

> <SYSTEMATIC_NAME>
5,3'-Dihydroxy-3,7,4'-trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,7,4'-Tri-O-methylquercetin

> <INCHI_KEY>
KPCRYSMUMBNTCK-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C04444

> <HMDB_ID>
-

> <CHEBI_ID>
27825

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280682

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162759

> <CITATION>
-

$$$$