KEGG   COMPOUND: C08511Help
Entry
C08511                      Compound                               

Name
Tenuazonic acid;
(5S,8S)-3-Acetyl-5-sec-butylpyrrolidine-2,4-dione
Formula
C10H15NO3
Exact mass
197.1052
Mol weight
197.231
Structure
Mol fileKCF fileDB search
Comment
keto-form
Reaction
Enzyme
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C08511  Tenuazonic acid
BRITE hierarchy
Reference
1  [PMID:23474405]
  Authors
Mikula H, Horkel E, Hans P, Hametner C, Frohlich J.
  Title
Structure and tautomerism of tenuazonic acid--a synergetic computational and spectroscopic approach.
  Journal
J Hazard Mater 250-251:308-17 (2013)
DOI:10.1016/j.jhazmat.2013.02.006
Other DBs
CAS: 27778-66-1
PubChem: 10704
ChEBI: 9440
KNApSAcK: C00001554
NIKKAJI: J356.638B
KCF data Show

ATOM        14
            1   C1y C    27.7667  -18.7134
            2   C5x C    28.2101  -20.0374
            3   N1x N    28.9042  -17.8733
            4   C1c C    26.5532  -18.0074
            5   C1y C    29.6099  -20.0317
            6   O5x O    27.3992  -21.1751
            7   C5x C    30.0416  -18.7017
            8   C1b C    25.3400  -18.7134
            9   C1a C    26.5417  -16.6074
            10  C5a C    30.4326  -21.1634
            11  O5x O    31.2491  -17.9900
            12  C1a C    24.1267  -18.0134
            13  C1a C    29.8725  -22.4350
            14  O5a O    31.8208  -21.0117
BOND        14
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     4   8 1
            8     4   9 1 #Down
            9     5  10 1
            10    7  11 2
            11    8  12 1
            12   10  13 1
            13   10  14 2
            14    5   7 1

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