LMPK12030013
  LIPID_MAPS_STRUCTURE_DATABASE

 54 61  0  0  0  0  0  0  0  0999 V2000
    6.6359    9.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6359    8.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573    8.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0787    8.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0787    9.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573   10.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8001    8.5622    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5215    8.9787    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5215    9.8117    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8001   10.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429   10.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429    8.5622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643    9.8117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6857   10.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6857   11.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9643   11.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429   11.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4071   11.4777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4071    9.8117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0763    7.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0763    6.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7977    6.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191    6.4970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5191    7.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7977    7.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2405    6.0805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9619    6.4970    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9619    7.3300    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2405    7.7465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6833    7.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7977    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4047    7.3300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1261    7.7465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1261    8.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4047    8.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6833    8.5795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8475    8.9960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8475    7.3300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573    7.9895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5111    7.5903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6833    6.0805    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3573   11.0612    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6359   11.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9145   11.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9145   10.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0787   11.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8001   11.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5215   11.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5215   12.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8001   12.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0787   12.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8001   13.5602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2429   12.7272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   11.4777    0.0000 O   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  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
  8 12  1  6  0  0  0
 11 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 11  1  0  0  0  0
 15 18  1  0  0  0  0
 14 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 28 30  1  6  0  0  0
 22 31  1  0  0  0  0
 30 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 30  1  0  0  0  0
 34 37  1  0  0  0  0
 33 38  1  0  0  0  0
  7 25  1  1  0  0  0
  3 39  1  0  0  0  0
 20 40  1  0  0  0  0
 27 41  1  1  0  0  0
  6 42  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45  1  1  0  0  0  0
 42 46  1  6  0  0  0
 46 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 49 50  1  0  0  0  0
 50 51  2  0  0  0  0
 51 46  1  0  0  0  0
 50 52  1  0  0  0  0
 49 53  1  0  0  0  0
 44 54  2  0  0  0  0
M  END
> <LM_ID>
LMPK12030013

> <COMMON_NAME>
Kandelin A-1

> <SYSTEMATIC_NAME>


> <FORMULA>
C39H32O15

> <MASS>
740.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Proanthocyanidins [PK1203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cinchonain-1a-(4beta->8)-catechin

> <KEGG_ID>
C10233

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
6110

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442686

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://www.lipidmaps.org/databases/lmsd/LMPK12030013

$$$$