LMPR0103180002
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0  0  0  0  0  0  0  0999 V2000
    7.6299    6.6299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9641    7.2488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5574    6.6417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8845    6.2589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5609    7.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2136    6.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3548    6.2548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8776    5.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8913    7.8183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3368    7.4246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2171    7.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    6.2623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4194    5.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8915    7.9793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5435    7.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708    6.6486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9827    5.7119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0580    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8708    7.4315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    6.2623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.8218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5540    8.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2102    8.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  2  1  6  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  1  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
 10 14  1  6  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 17  1  6  0  0  0
 13 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  2  0  0  0  0
 19 21  1  0  0  0  0
  7 10  1  0  0  0  0
  9 11  1  0  0  0  0
 16 19  1  0  0  0  0
  5 22  1  1  0  0  0
 11 23  1  6  0  0  0
  3  1  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103180002

> <COMMON_NAME>
Vomitoxin

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O6

> <MASS>
296.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Trichothecane sesquiterpenoids [PR010318]

> <SYNONYMS>


> <INCHI_KEY>
LINOMUASTDIRTM-LZTLOYDTSA-N

> <INCHI>
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15-/m1/s1

> <SMILES>
C1[C@@]2(O1)[C@@]1([H])[C@@H](C[C@]2(C)[C@@]2(CO)[C@H](O)C(C(C)=C[C@@]2([H])O1)=O)O

> <KEGG_ID>
C09747

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442408

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$