LMPK12113243
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.1087    8.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1087    7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9228    7.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7369    7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7369    8.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9228    9.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5510    7.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3652    7.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3652    8.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5510    9.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5510    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792    9.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0090    8.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8386    9.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8386   10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0090   10.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792   10.1389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9228    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0090   11.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6528   10.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9228   10.1209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1901   10.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   10.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1792    7.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4467    8.0325    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
 25 26  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
 15 20  1  0  0  0  0
  1 23  1  0  0  0  0
  8 25  1  0  0  0  0
  6 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12113243

> <COMMON_NAME>
Gossypetin 3,7,8-trimethyl ether

> <SYSTEMATIC_NAME>
5,3',4'-Trihydroxy-3,7,8-trimethoxyflavone

> <FORMULA>
C18H16O8

> <MASS>
360.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3,7,8-Trimethylgossypetin

> <INCHI_KEY>
KADCZAAXTVHSJI-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O8/c1-23-12-7-11(21)13-14(22)18(25-3)15(26-17(13)16(12)24-2)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3

> <SMILES>
C1(OC)=C(OC)C2OC(C3C=C(O)C(O)=CC=3)=C(OC)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13983745

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2896539

> <CITATION>
-

$$$$