LMPK12110308
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0     0  0            999 V2000
    8.8912   -5.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8912   -6.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7485   -7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6059   -6.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6059   -5.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7485   -5.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4631   -7.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203   -6.5097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3203   -5.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4631   -5.0249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4631   -7.7767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7485   -7.9942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3681   -4.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2714   -5.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750   -4.8662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1750   -3.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2714   -3.3016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3681   -3.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0776   -3.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0343   -5.0252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8842   -8.5975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1506   -9.5984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4223   -8.5976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505   -6.5962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0202   -7.0965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505   -8.5976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2865   -8.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2865   -7.0966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0202   -8.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2939   -6.0136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5676   -5.0004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5842   -3.0035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781   -3.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3850   -1.6714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1724   -4.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3023   -5.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4376   -4.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4461   -3.5078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3162   -3.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3245   -2.0151    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 20  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>
LMPK12110308

> <COMMON_NAME>
Isomollupentin 7-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>
QIJVNJMIZPPIAT-WNKUJWPOSA-N

> <INCHI>
InChI=1S/C26H28O14/c27-7-16-20(32)22(34)24(36)26(40-16)39-15-6-14-17(11(29)5-13(38-14)9-1-3-10(28)4-2-9)21(33)18(15)25-23(35)19(31)12(30)8-37-25/h1-6,12,16,19-20,22-28,30-36H,7-8H2/t12-,16+,19-,20+,22-,23+,24+,25-,26+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257764

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$