LMPR0103540005
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0     0  0            999 V2000
    7.3705    7.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3705    6.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2365    6.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1025    6.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1025    7.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2365    8.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    7.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8316    7.1589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4194    6.3499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0102    8.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4224    9.5775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714    9.2685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714    8.2685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4249    6.2453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6624    9.8563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2365    9.1588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0016    7.2160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0479    5.6142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9686    6.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2659    5.6643    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2660    8.6534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8346    6.6588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9686    5.1588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9803    4.6165    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7315   10.5285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0624   11.2717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7096   10.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9160   10.0822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  2  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13  7  1  0     0  0
  7 10  1  6     0  0
  9 14  1  1     0  0
  8 14  1  1     0  0
 12 15  2  0     0  0
  6 16  1  6     0  0
  5 17  1  6     0  0
  3 18  1  6     0  0
  4 19  1  1     0  0
  2 20  1  1     0  0
  1 21  1  1     0  0
 19 22  1  0     0  0
 19 23  2  0     0  0
 18 24  2  0     0  0
 18 17  1  0     0  0
 11 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  1     0  0
 11 28  1  1     0  0
M  END
> <LM_ID>
LMPR0103540005

> <COMMON_NAME>
16-epi-pretoxin

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H24O8

> <MASS>
380.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Picrotoxane sesquiterpenoids [PR010354]

> <SYNONYMS>


> <INCHI_KEY>
YZZUQHDYJXWFNG-VVEMGJRMSA-N

> <INCHI>
InChI=1S/C19H24O8/c1-6(2)9-10-16(23)25-11(9)12(21)17(4)18(13-14(26-13)19(10,17)24)5-8(7(3)20)15(22)27-18/h7-14,20-21,24H,1,5H2,2-4H3/t7-,8-,9-,10+,11+,12+,13+,14-,17-,18+,19-/m0/s1

> <SMILES>
[C@]12(C)[C@@]3(C[C@@]([H])([C@H](C)O)C(=O)O3)[C@@H]3O[C@@H]3[C@@]1(O)[C@H]1C(O[C@@H]([C@H]2O)[C@H]1C(=C)C)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154585521

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
256808

> <CITATION>
33016067

$$$$