LMPR0103090027
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
   11.0476   -5.4578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9682   -5.8113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9165   -6.7960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641   -7.0512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271   -6.2243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281   -5.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1028   -6.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6288   -7.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6609   -7.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7716   -5.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6107   -7.9718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1873   -4.3853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2993   -4.2682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7769   -3.4055    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0873   -6.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0900   -8.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4071   -8.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5239   -8.4256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5780   -9.8280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0664   -8.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6332   -5.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6284   -5.6948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1741   -4.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1837   -4.7494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0778   -6.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8238   -7.7124    0.0000 O   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  2  0     0  0
 15 21  1  0     0  0
 21 22  1  0     0  0
 22 23  2  0     0  0
 21 24  2  0     0  0
 22 25  1  0     0  0
  3 26  1  1     0  0
  4 26  1  6     0  0
M  END
> <LM_ID>
LMPR0103090027

> <COMMON_NAME>
Elephantopinolide J

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H20O7

> <MASS>
360.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
WIQOUTANBFOBPB-PLJDJVMKSA-N

> <INCHI>
InChI=1S/C19H20O7/c1-8(2)16(20)24-12-6-10-5-11(23-18(10)22)7-19(4)15(26-19)14-13(12)9(3)17(21)25-14/h5,11-15H,1,3,6-7H2,2,4H3/t11-,12-,13+,14-,15-,19+/m0/s1

> <SMILES>
[C@@H]12OC(=O)C(C[C@H](OC(=O)C(C)=C)[C@H]3C(=C)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>
73409

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
396369

> <CITATION>
32371334

$$$$