KEGG   COMPOUND: C10571
Entry
C10571                      Compound                               
Name
Aspergillic acid
Formula
C12H20N2O2
Exact mass
224.1525
Mol weight
224.2994
Structure
Other DBs
CAS: 490-02-8
PubChem: 12754
ChEBI: 2879
KNApSAcK: C00002316
3DMET: B05445
NIKKAJI: J12.576H
LinkDB
KCF data

ATOM        16
            1   C8y C    26.7696  -19.5242
            2   N4y N    27.9885  -18.8186
            3   C8x C    26.7696  -20.9238
            4   C1c C    25.5565  -18.8186
            5   C8y C    29.2014  -19.5242
            6   O1b O    27.9768  -17.4190
            7   N5x N    27.9885  -21.6237
            8   C1b C    24.3493  -19.5185
            9   C1a C    25.5508  -17.4190
            10  C8y C    29.2014  -20.9238
            11  O5x O    30.4086  -18.8127
            12  C1a C    23.1422  -18.8127
            13  C1b C    30.4086  -21.6237
            14  C1c C    31.6215  -20.9238
            15  C1a C    32.8229  -21.6237
            16  C1a C    31.6098  -19.5242
BOND        16
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     4   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 2
            11    8  12 1
            12   10  13 1
            13   13  14 1
            14   14  15 1
            15   14  16 1
            16    7  10 2

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