LMPK04000001
  LIPID_MAPS_STRUCTURE_DATABASE

 34 35  0     0  0            999 V2000
   12.9488   10.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0284   10.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0260    9.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8713   10.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9488    7.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8713    7.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7917    7.5635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7142    9.1604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7119   10.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7940   10.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082    8.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1082    7.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0284    7.0320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7142    7.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6344    7.5658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6344    8.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7142    6.0847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0284    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8713    6.0609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2689    9.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4296    8.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5323    9.1445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5323   10.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872   10.4455    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0032    9.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5872    8.8375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.6415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2689    9.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9488   11.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3355    8.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2283    8.3201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4303    7.1064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0523    8.7782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4495    9.1018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  1  4  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  4 10  1  0  0  0  0
  3 11  1  0  0  0  0
 12 13  1  0  0  0  0
  5 13  1  0  0  0  0
  7 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  8 16  1  0  0  0  0
 14 17  2  0  0  0  0
 13 18  2  0  0  0  0
 11 12  1  6  0  0  0
  6 19  1  1  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 22  1  0  0  0  0
 25 27  1  0  0  0  0
 20 28  1  0  0  0  0
  1 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
 15 32  1  1  0  0  0
  8 33  1  1  0  0  0
 16 34  1  6  0  0  0
M  END
> <LM_ID>
LMPK04000001

> <COMMON_NAME>
epothilone D

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H41NO5S

> <MASS>
491.27

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Macrolides and lactone polyketides [PK04]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C12039

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
29579

> <CAYMAN_ID>
18765

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
447865

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK04000001

$$$$