LMPK12112921
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    7.5019    8.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5019    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    7.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3020    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3020    8.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    9.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2019    7.2763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1018    7.7958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1018    8.8352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2019    9.3549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2019    6.4660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014    9.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9187    8.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8357    9.3546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8357   10.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9187   10.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0014   10.4136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4019    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9187   11.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4752   10.8759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6023    7.2765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0072    7.2385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8328    9.4035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9767    8.9095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8545    7.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9877   12.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8274   11.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1514    9.5109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5588    9.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6049    8.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3935   10.5357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1496   11.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0713   10.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2332    9.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4770    9.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6390    8.2600    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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
 20 15  1  0  0  0  0
  2 21  1  0  0  0  0
  8 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 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 20  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  END
> <LM_ID>
LMPK12112921

> <COMMON_NAME>
Tomentin 4'-glucoside

> <SYSTEMATIC_NAME>
5,6,3',4'-Tetrahydroxy-3,7-dimethoxyflavone 4'-glucoside

> <FORMULA>
C23H24O13

> <MASS>
508.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NIIDOYXMFLHZOS-ZZZLWRASSA-N

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

> <SMILES>
C1(OC)=CC2OC(C3C=C(O)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(OC)C(=O)C=2C(O)=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162916949

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 23242

> <CITATION>
-

$$$$