LMPK12112861
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.8600   -6.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600   -7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7068   -7.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538   -7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5538   -6.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7068   -5.7207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4008   -7.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2476   -7.1874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2476   -6.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4008   -5.7207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0947   -5.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9921   -6.2388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8897   -5.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8897   -4.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9921   -4.1659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0947   -4.6842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4008   -8.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0130   -5.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7068   -8.6546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0130   -7.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7367   -4.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0947   -7.6765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0955   -7.1470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0947   -8.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6541   -4.7250    0.0000 C   0  0  0  0  0  0  0  0  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
  9 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
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 14 21  1  0  0  0  0
  8 22  1  0  0  0  0
 20 23  1  0     0  0
 22 24  1  0     0  0
 21 25  1  0     0  0
M  END
> <LM_ID>
LMPK12112861

> <COMMON_NAME>
Santin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-3,4',6-trimethoxyflavone

> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
2-(4-Methoxyphenyl)-5,7-dihydroxy-3,6-dimethoxy-4H-1-benzopyran-4-one

> <INCHI_KEY>
DWZAJFZEYZIHPO-UHFFFAOYSA-N

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

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

> <KEGG_ID>
C10180

> <HMDB_ID>
-

> <CHEBI_ID>
9024

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281695

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 216992

> <CITATION>
-

$$$$