LMPK12110645
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
   11.8551    8.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8551    7.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7113    7.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5672    7.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5672    8.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7113    9.3282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4235    7.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2797    7.8452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2797    8.8337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4235    9.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4236    6.3236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1354    9.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0079    8.8239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8804    9.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8804   10.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0079   10.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1354   10.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690    9.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7113    6.3643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0079   11.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.7530   10.8393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6816    7.4224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8720    6.5940    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2551    7.7464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1529    9.5654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6268    9.1579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9669    8.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8732    7.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9655    7.5845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1573    8.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2509    9.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4425    9.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4474   10.7212    0.0000 O   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
  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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 16 20  1  0  0  0  0
 15 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 18  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  1     0  0
 32 33  2  0     0  0
M  END
> <LM_ID>
LMPK12110645

> <COMMON_NAME>
Luteolin 7-galacturonide

> <SYSTEMATIC_NAME>
5,7,3',4'-Tetrahydroxyflavone 7-galacturonide

> <FORMULA>
C21H18O12

> <MASS>
462.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VSUOKLTVXQRUSG-KWLWEVDOSA-N

> <INCHI>
InChI=1S/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)/t16-,17+,18+,19-,21+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=C(O)C(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11972399

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2078533

> <CITATION>
-

$$$$