LMPK12110225
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
   11.0051   10.7582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9859   11.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9859   12.3152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2242   10.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3936   11.4057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5630   10.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5630    9.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3936    9.4876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2242    9.9671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.4877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9300    9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9300    8.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7881    7.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6463    8.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6463    9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7881    9.7949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5046    7.8128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3628    8.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3628    9.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5046    9.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5046    7.0402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0721    9.7946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7881    6.8222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3161    9.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2204    9.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1249    9.8264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1249   10.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2204   11.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3161   10.8708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0284   11.3925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0716   12.7314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8024   13.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6717   11.2304    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3566   13.7113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8036   10.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9370   11.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9384   12.2312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   12.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6703   12.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5357   12.7270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9  4  1  0  0  0  0
  7 10  1  0  0  0  0
 11 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 11  2  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 15  1  0  0  0  0
 17 21  2  0  0  0  0
 11 22  1  0  0  0  0
 13 23  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 24 19  1  0  0  0  0
 27 30  1  0  0  0  0
 34 40  1  0     0  0
 39 33  1  0     0  0
 33 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  1     0  0
 37 31  1  1     0  0
 38 32  1  6     0  0
 35 16  1  1     0  0
 36  1  1  6     0  0
M  END
> <LM_ID>
LMPK12110225

> <COMMON_NAME>
Vitexin 2''-p-hydroxybenzoate

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H24O12

> <MASS>
552.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UTRUFHLVSJSJBC-MNSCYGPMSA-N

> <INCHI>
InChI=1S/C28H24O12/c29-11-20-23(35)24(36)27(40-28(37)13-3-7-15(31)8-4-13)26(39-20)22-17(33)9-16(32)21-18(34)10-19(38-25(21)22)12-1-5-14(30)6-2-12/h1-10,20,23-24,26-27,29-33,35-36H,11H2/t20-,23-,24+,26+,27-/m1/s1

> <SMILES>
O([C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1C1=C(O)C=C(O)C2C(=O)C=C(C3C=CC(O)=CC=3)OC=21)C(C1C=CC(O)=CC=1)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101939795

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$