KEGG   COMPOUND: C17106
Entry
C17106                      Compound                               
Name
Mertensene
Formula
C10H14BrCl3
Exact mass
317.9344
Mol weight
320.4812
Structure
Other DBs
CAS: 66389-40-0
PubChem: 96023579
ChEBI: 80932
KNApSAcK: C00010453
NIKKAJI: J413.649G
LinkDB
KCF data

ATOM        14
            1   C1z C    29.8428  -28.1644
            2   C1y C    29.8428  -29.4687
            3   C1x C    31.0098  -30.1552
            4   C1y C    32.1768  -29.4687
            5   C1z C    32.1768  -28.1644
            6   C1x C    31.0098  -27.4779
            7   C1a C    28.8130  -27.2033
            8   C2b C    33.3439  -27.4779
            9   C1a C    33.6185  -29.1255
            10  C2b C    34.5109  -28.0957
            11  X   Cl   35.6779  -27.4779
            12  X   Br   33.3439  -30.1552
            13  X   Cl   28.5384  -30.2925
            14  X   Cl   28.4011  -28.7136
BOND        14
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 1
            8     5   8 1
            9     5   9 1 #Down
            10    8  10 2
            11   10  11 1
            12    4  12 1 #Down
            13    2  13 1 #Down
            14    1  14 1 #Up

» Japanese version

DBGET integrated database retrieval system