Marvin  08090715582D          

 22 22  0  0  1  0            999 V2000
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 14  2  1  0  0  0  0
  3  7  1  0  0  0  0
  4  3  1  0  0  0  0
  1  4  2  0  0  0  0
  3  5  2  0  0  0  0
  6  2  2  0  0  0  0
  5  6  1  0  0  0  0
  9  7  1  0  0  0  0
 15  7  2  0  0  0  0
  9  8  1  0  0  0  0
 13  8  2  0  0  0  0
  9 19  1  1  0  0  0
 11 10  1  0  0  0  0
 16 10  2  0  0  0  0
 17 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 22 13  1  0  0  0  0
 20 14  1  0  0  0  0
 21 14  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
> <ID>
CHEBI:46024

> <NAME>
trichostatin A

> <STAR>
3

> <SECONDARY_ID>
CHEBI:39145; CHEBI:46022

> <SYNONYM>
TSA; TRICHOSTATIN A; (2E,4E,6R)-7-(4-(dimethylamino)phenyl)-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide

> <IUPAC_NAME>
(2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienamide

> <FORMULA>
C17H22N2O3

> <MASS>
302.36826

> <MONOISOTOPIC_MASS>
302.16304

> <CHARGE>
0

> <SMILES>
C[C@@H](C(=O)c1ccc(cc1)N(C)C)\C=C(C)\C=C\C(=O)NO

> <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

> <INCHIKEY>
RTKIYFITIVXBLE-QEQCGCAPSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
5291761

> <CAS_REGISTRY_NUMBER>
58880-19-6

> <CHEMIDPLUS>
58880-19-6

> <DRUGBANK_ACCESSION>
DB04297

> <KNAPSACK_ACCESSION>
C00016002

> <PDBECHEM_ACCESSION>
TSN

> <WIKIPEDIA_ACCESSION>
Trichostatin_A

> <PUBMED_CITATION>
10490031; 15346199; 16010430; 18285338; 19038231; 21504214; 25075551; 27454931; 30395713; 31755702; 32880591; 33983895; 34086940

$$$$