LMPK01000055
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
    7.7926    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1228    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8548    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7208    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4529    8.8606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    7.3606    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9265    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3908   10.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2567    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9887    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5869   10.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.3189    9.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  2 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  7 18  2  0  0  0  0
  8 19  1  1  0  0  0
 10 20  1  0  0  0  0
 13 21  2  0  0  0  0
 14 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK01000055

> <COMMON_NAME>
Trichostatin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H22N2O3

> <MASS>
302.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Linear polyketides [PK01]

> <SUB_CLASS>


> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RTKIYFITIVXBLE-QEQCGCAPSA-N

> <INCHI>
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1

> <SMILES>
C1=CC(C(=O)[C@H](C)/C=C(\C)/C=C/C(=O)NO)=CC=C1N(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
46024

> <ABBREVIATION>
-

> <CAYMAN_ID>
89730

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
444732

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1912

> <CITATION>
931784

$$$$