LMPK12110246
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
   10.4459    8.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4459    7.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2989    7.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1520    7.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1520    8.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2989    9.3040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0050    7.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8581    7.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8581    8.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0050    9.3040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0050    6.5657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2989    6.3493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9006    9.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7996    8.9429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6986    9.4619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6986   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7996   11.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9006   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5968   11.0186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5931    9.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4389    5.7490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7138    4.7530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9941    5.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    7.7404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5791    7.2426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7137    5.7489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    6.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8540    7.2425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5791    6.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3055    5.0546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6373    3.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1045    1.8260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8374    4.1321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5769    1.5843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6058    4.7696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5390    4.4224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7042    3.4377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9377    2.8055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0045    3.1527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2380    2.5204    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
  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
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 28 24  1  0     0  0
 24 25  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 26 22  1  1     0  0
 27 23  1  1     0  0
 25 29  1  0     0  0
 29 21  1  6     0  0
 29 26  1  0     0  0
 25  2  1  1     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
 35 21  1  1     0  0
 36 30  1  6     0  0
 37 31  1  1     0  0
 38 32  1  6     0  0
M  END
> <LM_ID>
LMPK12110246

> <COMMON_NAME>
Isomollupentin 2''-O-glucoside

> <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>
LOCBOCXGFMHGIJ-XAYOXWHSSA-N

> <INCHI>
InChI=1S/C26H28O14/c27-7-16-20(33)22(35)23(36)26(39-16)40-25-19(32)13(31)8-37-24(25)18-12(30)6-15-17(21(18)34)11(29)5-14(38-15)9-1-3-10(28)4-2-9/h1-6,13,16,19-20,22-28,30-36H,7-8H2/t13-,16+,19-,20+,22-,23+,24-,25+,26-/m0/s1

> <SMILES>
C1(O)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1[C@H]1[C@@H]([C@@H](O)[C@@H](O)CO1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101422351

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$