LMPK13040003
  LIPID_MAPS_STRUCTURE_DATABASE

 43 47  0  0  0  0  0  0  0  0999 V2000
    9.8314    8.5454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1236    8.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    8.9576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8314    7.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1271    9.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125    8.5487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5527    9.7821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2570    8.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1202    7.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    7.3086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   10.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8382   10.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    8.9610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2707   10.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9750    8.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1168    6.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5459    6.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2639    7.7244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125   11.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945    9.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8416   11.0257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9818    9.7683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2776   11.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6861    8.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8279    6.0719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4023    6.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2604    6.0685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980   11.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4075    8.9301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8279    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7014   12.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869   11.0257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869   12.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689   11.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869   10.2012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2723   12.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9869   13.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   11.0291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   12.6814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3990    5.2535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2751   13.9166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1165    8.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5403    8.1385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  2  0  0  0  0
  2  6  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  6  0  0  0
 11 19  1  0  0  0  0
 11 20  2  0  0  0  0
 12 21  2  0  0  0  0
 14 22  2  0  0  0  0
 14 23  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 16 26  1  1  0  0  0
 17 27  1  1  0  0  0
 28 19  1  1  0  0  0
 24 29  1  0  0  0  0
 25 30  1  6  0  0  0
 28 31  1  0  0  0  0
 28 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 35  1  6  0  0  0
 33 36  1  0  0  0  0
 33 37  1  1  0  0  0
 34 38  1  1  0  0  0
 36 39  1  6  0  0  0
  7 12  1  0  0  0  0
 13 20  1  0  0  0  0
 15 22  1  0  0  0  0
 17 25  1  0  0  0  0
 34 36  1  0  0  0  0
 26 40  1  0  0  0  0
  1  2  1  0  0  0  0
 37 41  1  0  0  0  0
  1  3  1  0  0  0  0
  1 42  1  6  0  0  0
  4  1  1  0  0  0  0
  4 43  1  6  0  0  0
M  END
> <LM_ID>
LMPK13040003

> <COMMON_NAME>
Cascaroside A

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H32O14

> <MASS>
580.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Anthracenes and phenanthrenes [PK1304]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C10307

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
3446

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442727

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/index.php/databases/lmsd/LMPK13040003

$$$$