LMPR0103090028
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0     0  0            999 V2000
   11.0419   -5.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9620   -5.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9104   -6.7925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9584   -7.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4217   -6.2210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7210   -5.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0955   -6.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6218   -7.2784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6544   -7.4486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7650   -5.2323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6052   -7.9677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1815   -4.3830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2929   -4.2659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7703   -3.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0795   -6.4698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0827   -8.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4002   -8.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5174   -8.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5710   -9.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0586   -8.2833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8177   -7.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4315   -9.2072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  1  1  0     0  0
 10  2  2  0     0  0
  6 10  1  0     0  0
  9  3  1  0     0  0
  8  9  1  0     0  0
  7  8  1  0     0  0
  6  7  1  0     0  0
  4 11  1  0     0  0
 12 13  1  0     0  0
 13 10  1  0     0  0
  1 12  1  1     0  0
 13 14  2  0     0  0
  7 15  1  6     0  0
  8 16  1  1     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
  9 18  1  6     0  0
 17 19  2  0     0  0
 16 20  1  6     0  0
  3 21  1  1     0  0
  4 21  1  6     0  0
 20 22  1  0     0  0
M  END
> <LM_ID>
LMPR0103090028

> <COMMON_NAME>
Elephantopinolide K

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H18O7

> <MASS>
310.11

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
FIUKLWDETUQLTL-WQPNVZCNSA-N

> <INCHI>
InChI=1S/C15H18O7/c1-15-5-7-3-6(13(17)20-7)4-8(16)9-10(12(15)22-15)21-14(18)11(9)19-2/h3,7-12,16H,4-5H2,1-2H3/t7-,8-,9+,10-,11-,12-,15+/m0/s1

> <SMILES>
[C@@H]12OC(=O)C(C[C@H](O)[C@H]3[C@H](OC)C(=O)O[C@@H]3[C@@H]3O[C@]3(C)C1)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120131

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
396369

> <CITATION>
32371334

$$$$