KEGG   COMPOUND: C17099
Entry
C17099                      Compound                               

Name
Aeroplysinin 1
Formula
C9H9Br2NO3
Exact mass
336.8949
Mol weight
338.9807
Structure
Other DBs
CAS: 28656-91-9
PubChem: 96023572
ChEBI: 80925
ChEMBL: CHEMBL462153
KNApSAcK: C00038366
NIKKAJI: J17.043G
LinkDB
KCF data

ATOM        15
            1   C2y C    14.7700  -17.5000
            2   C2y C    14.7700  -18.9000
            3   C2y C    15.9824  -19.6000
            4   C2x C    17.1949  -18.9000
            5   C1z C    17.1949  -17.5000
            6   C1y C    15.9824  -16.8000
            7   O1a O    15.9824  -15.4002
            8   X   Br   15.9824  -20.9998
            9   O2a O    13.5576  -19.6000
            10  C1a C    12.3621  -18.9096
            11  X   Br   13.5576  -16.8000
            12  O1a O    18.4073  -18.2000
            13  C1b C    18.1848  -16.5101
            14  C3b C    19.5538  -16.8768
            15  N3a N    20.9061  -17.2391
BOND        15
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     6   7 1 #Down
            8     3   8 1
            9     2   9 1
            10    9  10 1
            11    1  11 1
            12    5  12 1 #Up
            13    5  13 1
            14   13  14 1
            15   14  15 3

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