LMFA07010911
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   21.1029   -5.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2038   -5.8387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0049   -5.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7259   -4.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9683   -4.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5127   -5.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9820   -6.8136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2403   -6.1047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.2280   -6.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7867   -5.2132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7266   -4.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2908   -3.7201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9854   -4.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5217   -5.2510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6048   -7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0058   -7.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.1274   -6.3761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6052   -7.5929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3491   -5.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5504   -3.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0556   -4.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1721   -8.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0824   -6.0807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0567   -4.3252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5901   -3.5210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.7368   -9.3209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.8822   -5.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5426   -6.9705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5926   -3.4416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5217   -5.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1245   -2.5975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4956   -7.3077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0842   -4.7206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.9348   -7.5187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  1  0  0  0
  9  3  1  6  0  0  0
  3 10  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  6  0  0  0
  5 13  2  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  1  0  0  0
  7 15  1  0  0  0  0
  7 16  1  1  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 11 19  1  0  0  0  0
 13 20  1  0  0  0  0
 14 21  1  0  0  0  0
 15 18  2  0  0  0  0
 15 22  1  0  0  0  0
 17 19  1  0  0  0  0
 17 23  1  0  0  0  0
 17 32  1  6  0  0  0
 19 23  1  0  0  0  0
 19 33  1  6  0  0  0
 21 24  1  0  0  0  0
 21 25  2  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
 29 31  1  0  0  0  0
  9 34  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010911

> <COMMON_NAME>
ingenol mebutate

> <SYSTEMATIC_NAME>
(1aR,2S,5R,5aS,6S,8aS,9R,10aR)-5,5a-dihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-11-oxo-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[E][10]annulen-6-yl (2Z)-2-methylbut-2-enoate

> <FORMULA>
C25H34O6

> <MASS>
430.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Tigliane and ingenane diterpenoids [PR010433]

> <SYNONYMS>
3-Angeloylingenol;3-Ingenyl angelate;Ingenol 3-angelate;PEP-005

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
66913

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
46174141

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMFA07010911

$$$$