LMPK12111422
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
   12.3249   12.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3249   11.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2359   11.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1468   11.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1468   12.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2359   13.1706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4138   11.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028   11.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5919   11.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5919   10.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    9.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4138   10.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809   11.5927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698   11.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698   10.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    9.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5028    8.5730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8589   11.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    8.6142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809   12.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0290   10.0988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5244   13.1067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8829   12.8060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9769    9.5570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1001   10.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5530    8.8015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1914    6.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3092    6.1654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9052    8.7786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7835    6.4622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8499    9.1165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6119    8.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4293    7.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4883    7.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7263    7.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7852    7.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 16 19  1  0  0  0  0
 13 20  1  0  0  0  0
  3 21  1  0  0  0  0
  1 22  1  0  0  0  0
 20 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 18 26  1  0  0  0  0
 31 37  1  0     0  0
 36 30  1  0     0  0
 30 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  0     0  0
 36 37  1  1     0  0
 32 21  1  1     0  0
 33 27  1  6     0  0
 34 28  1  1     0  0
 35 29  1  6     0  0
M  END
> <LM_ID>
LMPK12111422

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2',6'-Trihydroxy-6,7,8-trimethoxyflavone 2'-glucoside

> <FORMULA>
C24H26O13

> <MASS>
522.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DKQNLLRUQPBLQO-NVZSQUQVSA-N

> <INCHI>
InChI=1S/C24H26O13/c1-32-21-17(29)15-10(27)7-12(35-20(15)22(33-2)23(21)34-3)14-9(26)5-4-6-11(14)36-24-19(31)18(30)16(28)13(8-25)37-24/h4-7,13,16,18-19,24-26,28-31H,8H2,1-3H3/t13-,16-,18+,19-,24-/m1/s1

> <SMILES>
C1(O)C=CC=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=1C1=CC(=O)C2C(O)=C(OC)C(OC)=C(OC)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258627

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$