KEGG   COMPOUND: C08506
Entry
C08506                      Compound                               

Name
Methoxybrassinin
Formula
C12H14N2OS2
Exact mass
266.0548
Mol weight
266.3824
Structure
Other DBs
CAS: 105748-60-5
PubChem: 10699
ChEBI: 6841
ChEMBL: CHEMBL2442575
KNApSAcK: C00001546
NIKKAJI: J391.782G
KCF data

ATOM        17
            1   C8y C    26.1841  -20.2419
            2   C8y C    26.1784  -18.8458
            3   C8y C    27.5101  -20.6624
            4   C8x C    24.9692  -20.9427
            5   N4y N    27.5042  -18.4078
            6   C8x C    24.9633  -18.1449
            7   C8x C    28.3278  -19.5351
            8   C1b C    27.4984  -22.0585
            9   C8x C    23.7601  -20.2419
            10  O2a O    27.4925  -17.0001
            11  C8x C    23.7601  -18.8401
            12  N1b N    28.7133  -22.7652
            13  C1a C    26.2717  -16.2932
            14  C2c C    29.9284  -22.0585
            15  S2a S    31.1432  -22.7652
            16  S0  S    29.9924  -20.6566
            17  C1a C    32.3524  -22.0585
BOND        18
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12   10  13 1
            13   12  14 1
            14   14  15 1
            15   14  16 2
            16   15  17 1
            17    5   7 1
            18    9  11 1

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