KEGG   COMPOUND: C09021
Entry
C09021                      Compound                               
Name
Affinine;
17-Hydroxyvobasan-3-one
Formula
C20H24N2O2
Exact mass
324.1838
Mol weight
324.4168
Structure
Other DBs
CAS: 2134-82-9
PubChem: 11213
ChEBI: 2502
KNApSAcK: C00001675
3DMET: B02620
NIKKAJI: J82.043A
LinkDB
KCF data

ATOM        24
            1   C8y C    26.7679  -20.5220
            2   C8y C    25.4642  -20.9721
            3   C8y C    27.6040  -21.6270
            4   C1x C    26.9668  -19.1421
            5   C8y C    25.4933  -22.3637
            6   C8x C    24.2479  -20.3114
            7   N4x N    26.8089  -22.7613
            8   C5x C    28.9838  -21.8374
            9   C1y C    28.0835  -18.3118
            10  C8x C    24.3122  -23.0887
            11  C8x C    23.0553  -21.0306
            12  C1x C    30.0948  -21.0013
            13  O5x O    28.9834  -23.2872
            14  C1y C    29.4574  -18.5107
            15  N1y N    28.6213  -17.0315
            16  C8x C    23.0204  -22.4222
            17  C1y C    30.2935  -19.6215
            18  C1b C    28.3407  -19.3351
            19  C1x C    29.9954  -16.8677
            20  C1a C    27.7795  -15.6405
            21  C2y C    30.8315  -18.3411
            22  O1a O    28.4986  -20.7149
            23  C2b C    32.2054  -18.3173
            24  C1a C    33.0357  -19.4983
BOND        27
            1     1   2 1
            2     1   3 2
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 2
            11    8  12 1
            12    8  13 2
            13    9  14 1 #Up
            14    9  15 1
            15   10  16 2
            16   12  17 1
            17   14  18 1
            18   15  19 1
            19   15  20 1
            20   17  21 1
            21   18  22 1
            22   21  23 2
            23   23  24 1
            24    5   7 1
            25   11  16 1
            26   17  14 1 #Up
            27   19  21 1

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