LMPK12110240
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
   10.7538    8.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7538    7.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6435    7.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5330    7.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5330    8.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4227    7.3873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3123    7.9009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3123    8.9280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4227    9.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4227    6.5864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8645    9.4415    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6435    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3006    9.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2379    8.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1753    9.4745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1753   10.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2379   11.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3006   10.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1123   11.0980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6435    9.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6436   10.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056   10.3651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9057   12.3668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6364   13.3631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5057   10.8658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1906   13.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7710   10.8632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7723   11.8666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6377   12.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5042   11.8643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3696   12.3624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8914    8.3637    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1508    7.3753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4297    8.3881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1719   10.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0380    9.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0309    8.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1578    8.3759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2974    8.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3044    9.8830    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
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  6 10  2  0  0  0  0
  1 11  1  0  0  0  0
  3 12  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 13  8  1  0  0  0  0
 16 19  1  0  0  0  0
 20  1  2  0  0  0  0
  5 20  1  0  0  0  0
 21 20  1  1     0  0
 26 31  1  0     0  0
 30 25  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  1     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
 29 24  1  6     0  0
 21 27  1  0     0  0
 25 21  1  0     0  0
 40 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 36 22  1  1     0  0
 37 32  1  6     0  0
 38 33  1  1     0  0
 39 34  1  6     0  0
M  END
> <LM_ID>
LMPK12110240

> <COMMON_NAME>
Vitexin 2''-O-xyloside

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O14

> <MASS>
564.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MPUWFKYDUGBWJT-HFSMFUKASA-N

> <INCHI>
InChI=1S/C26H28O14/c27-7-16-20(34)21(35)25(40-26-22(36)19(33)14(32)8-37-26)24(39-16)18-12(30)5-11(29)17-13(31)6-15(38-23(17)18)9-1-3-10(28)4-2-9/h1-6,14,16,19-22,24-30,32-36H,7-8H2/t14-,16-,19+,20-,21+,22-,24+,25-,26+/m1/s1

> <SMILES>
C1(=C([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2[C@H](O)[C@@H](O)[C@H](O)CO2)C2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11972300

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$