LMPK12111342
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    8.6125    9.9209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7704    8.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7339    7.8925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5662    9.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0294   10.6715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4445   11.1474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6185    9.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1866    8.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1656    8.8189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5821    9.6548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0140   10.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4302   11.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2055    6.6152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6879    4.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5096    6.8277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5007    7.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2183    6.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9447    5.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9576    5.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2402    5.8439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2529    5.5884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    4.6441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1660    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4340    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4340    9.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0321    9.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8981    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8981    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0321    7.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000    6.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3000   10.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7641    9.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7641   10.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6302   11.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962   10.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4962    9.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6302    9.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3622   11.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0321    6.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6 12  1  0     0  0
 11  5  1  0     0  0
  5  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  1     0  0
  8  2  1  6     0  0
  9  3  1  1     0  0
 10  4  1  6     0  0
 20 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  6     0  0
 16  2  1  1     0  0
 17 13  1  6     0  0
 19 14  1  1     0  0
  7  1  1  1     0  0
 18 22  1  6     0  0
 23 24  1  0     0  0
 24 25  2  0     0  0
 25 26  1  0     0  0
 26 27  2  0     0  0
 27 28  1  0     0  0
 28 23  2  0     0  0
 24 29  1  0     0  0
 29 30  1  0     0  0
 30 31  2  0     0  0
 31 32  1  0     0  0
 32 25  1  0     0  0
 26 33  1  0     0  0
 23 34  1  0     0  0
 30 35  1  0     0  0
 35 36  1  0     0  0
 36 37  2  0     0  0
 37 38  1  0     0  0
 38 39  2  0     0  0
 39 40  1  0     0  0
 40 35  2  0     0  0
 38 41  1  0     0  0
 32 42  2  0     0  0
 28  1  1  0     0  0
M  END
> <LM_ID>
LMPK12111342

> <COMMON_NAME>
Isoscutellarein 7-neohesperidoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H30O15

> <MASS>
594.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL3FFAGS0003

> <PUBCHEM_COMPOUND_ID>
101429672

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12111342

$$$$