KEGG   COMPOUND: C16804
Entry
C16804                      Compound                               
Name
Penicillic acid
Formula
C8H10O4
Exact mass
170.0579
Mol weight
170.1626
Structure
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Others
    C16804  Penicillic acid
Other DBs
CAS: 17397-87-4
PubChem: 96023328
NIKKAJI: J3.919E
LinkDB
KCF data

ATOM        12
            1   C1z C    20.1041  -17.7145
            2   C2y C    20.5078  -19.0851
            3   C2x C    21.9077  -19.1107
            4   C7x C    22.3693  -17.7558
            5   O7x O    21.2546  -16.8929
            6   O6a O    23.7311  -17.3462
            7   O2a O    19.6477  -20.2129
            8   C1a C    18.2833  -20.0377
            9   C2c C    18.7666  -17.2532
            10  O1a O    19.0867  -18.9665
            11  C1a C    17.7222  -18.1596
            12  C2a C    18.4940  -15.8455
BOND        12
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     1   5 1
            6     4   6 2
            7     2   7 1
            8     7   8 1
            9     1   9 1
            10    1  10 1
            11    9  11 1
            12    9  12 2

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