LMPK12113179
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    7.7723   11.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7723   10.2456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089    9.7627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4455   10.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4455   11.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089   11.6947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2821    9.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1187   10.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1187   11.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2818   11.6949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2821    8.7784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9714   11.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8240   11.2118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6767   11.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6834   12.6771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8339   13.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9780   12.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9197   11.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2261    9.6067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357   13.1692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089    8.7782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6089   12.6791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8339   14.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4614   13.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6865   14.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0841    8.7243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2490    6.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5579    5.5102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4617    7.9970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9644    5.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3095    8.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2387    8.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3198    7.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4744    6.5330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5453    6.9743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6999    6.3926    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
  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
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
  6 22  1  0  0  0  0
 16 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 19  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  1     0  0
M  END
> <LM_ID>
LMPK12113179

> <COMMON_NAME>
Limocitrin 3-galactoside

> <SYSTEMATIC_NAME>
3,5,7,4'-Tetrahydroxy-8,3'-dimethoxyflavon 3-galactoside

> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Gossypetin-8,3'-dimethylether-3-beta-D-galactoside

> <INCHI_KEY>
XZGXHUKLGCOGII-PKNOTBOHSA-N

> <INCHI>
InChI=1S/C23H24O13/c1-32-12-5-8(3-4-9(12)25)19-22(36-23-18(31)17(30)15(28)13(7-24)34-23)16(29)14-10(26)6-11(27)20(33-2)21(14)35-19/h3-6,13,15,17-18,23-28,30-31H,7H2,1-2H3/t13-,15+,17+,18-,23+/m1/s1

> <SMILES>
C1(O)=C(OC)C2OC(C3C=C(OC)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5492077

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1940515

> <CITATION>
-

$$$$