KEGG   COMPOUND: C09336
Entry
C09336                      Compound                               
Name
Angoline
Formula
C22H21NO5
Exact mass
379.142
Mol weight
379.4058
Structure
Other DBs
CAS: 21080-31-9
PubChem: 11527
ChEBI: 2721
KNApSAcK: C00001804
3DMET: B05351
NIKKAJI: J92.909C
LinkDB
KCF data

ATOM        28
            1   C8y C    26.3607  -20.2243
            2   C8y C    26.3666  -18.8159
            3   C1y C    27.5762  -20.9313
            4   C8y C    25.1510  -20.9254
            5   C8y C    27.5879  -18.1206
            6   C8x C    25.1510  -18.1147
            7   N1y N    28.7975  -20.2301
            8   O2a O    27.5586  -22.3338
            9   C8y C    23.9299  -20.2243
            10  O2a O    25.1453  -22.3279
            11  C8y C    28.7975  -18.8276
            12  C8x C    27.5996  -16.7239
            13  C8x C    23.9299  -18.8159
            14  C1a C    30.0072  -20.9371
            15  C1a C    28.7742  -23.0291
            16  O2a O    22.7202  -20.9254
            17  C1a C    23.9239  -23.0174
            18  C8y C    30.0129  -18.1381
            19  C8x C    28.8209  -16.0286
            20  C1a C    21.5106  -20.2243
            21  C8y C    30.0306  -16.7415
            22  C8x C    31.2109  -18.8452
            23  C8x C    31.2460  -16.0520
            24  C8y C    32.4205  -18.1674
            25  C8y C    32.4380  -16.7707
            26  O2x O    33.7411  -18.6114
            27  O2x O    33.7705  -16.3616
            28  C1x C    34.5768  -17.4953
BOND        32
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    7  14 1
            14    8  15 1
            15    9  16 1
            16   10  17 1
            17   11  18 1
            18   12  19 2
            19   16  20 1
            20   18  21 2
            21   18  22 1
            22   21  23 1
            23   22  24 2
            24   23  25 2
            25   24  26 1
            26   25  27 1
            27   26  28 1
            28    7  11 1
            29    9  13 1
            30   19  21 1
            31   24  25 1
            32   27  28 1

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