KEGG   COMPOUND: C16997
Entry
C16997                      Compound                               
Name
Michelalbine
Formula
C17H15NO3
Exact mass
281.1052
Mol weight
281.3059
Structure
Other DBs
PubChem: 96023483
ChEBI: 80850
KNApSAcK: C00027444
NIKKAJI: J15.078I
LinkDB
KCF data

ATOM        21
            1   C8x C    33.1845  -28.1244
            2   C8x C    33.1845  -29.5342
            3   C8x C    34.4054  -30.2391
            4   C8x C    35.6265  -29.5342
            5   C8y C    35.6265  -28.1244
            6   C8y C    34.4054  -27.4195
            7   C1y C    36.8474  -27.4195
            8   C1y C    36.8474  -26.0096
            9   C8y C    35.6265  -25.3047
            10  C8y C    34.4054  -26.0096
            11  N1x N    38.0683  -25.3047
            12  C1x C    38.0683  -23.8949
            13  C1x C    36.8474  -23.1900
            14  C8y C    35.6265  -23.8949
            15  C8x C    34.4054  -23.1900
            16  C8y C    33.1845  -23.8949
            17  C8y C    33.1845  -25.3047
            18  O2x O    31.8437  -23.4592
            19  C1x C    31.0150  -24.5998
            20  O2x O    31.8437  -25.7403
            21  O1a O    38.0704  -28.1256
BOND        25
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 2
            11    6  10 1
            12    8  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16    9  14 1
            17   14  15 2
            18   15  16 1
            19   16  17 2
            20   10  17 1
            21   16  18 1
            22   18  19 1
            23   19  20 1
            24   17  20 1
            25    7  21 1 #Down

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