LMPK12110527
  LIPID_MAPS_STRUCTURE_DATABASE

 41 45  0     0  0            999 V2000
   18.4530    8.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5619    9.3571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6706    8.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6706    7.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5619    7.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4530    7.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7793    9.3571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8881    8.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8881    7.8133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7793    7.2988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5619    6.5851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4528    9.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3441    8.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2353    9.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2353   10.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3441   10.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4528   10.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0879   10.9409    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7793    6.3383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0267    9.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.0605    8.9431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9123    5.7997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1788    4.7989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    5.7995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1786    7.8011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6877    7.1537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0482    7.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0482    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1786    5.7995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3147    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3147    7.3006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4506    7.8010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6950    6.8852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9682    7.6119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4290    5.8925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3992    5.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1328    4.5586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8604    3.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8546    4.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1209    5.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5944    2.8382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  1 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
 10 19  1  0  0  0  0
  8 20  1  0  0  0  0
 14 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  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  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 38 41  1  0  0  0  0
 35 36  2  0  0  0  0
 35 40  1  0  0  0  0
 26 33  1  0  0  0  0
 27  9  1  1     0  0
M  END
> <LM_ID>
LMPK12110527

> <COMMON_NAME>
Perfoliatumin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H24O13

> <MASS>
568.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isoorientin 6''-O-p-hydroxybenzoate

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL3FACCS0059

> <PUBCHEM_COMPOUND_ID>
44257964

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12110527

$$$$