KEGG   COMPOUND: C09019Help
Entry
C09019                      Compound                               

Name
1-Acetylaspidoalbidine
Formula
C21H26N2O2
Exact mass
338.1994
Mol weight
338.4433
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09019  1-Acetylaspidoalbidine
BRITE hierarchy
Other DBs
CAS: 56197-21-8
PubChem: 11211
ChEBI: 583
KNApSAcK: C00001673
3DMET: B02618
NIKKAJI: J2.767.828I
KCF data Show

ATOM        25
            1   C8y C    24.8384  -18.3392
            2   C8y C    24.8577  -17.0221
            3   C8x C    22.6376  -17.0917
            4   C8x C    22.6048  -18.3379
            5   C8x C    23.7697  -18.9322
            6   C8x C    23.7023  -16.4399
            7   N1y N    28.3225  -15.0619
            8   C1z C    28.3776  -16.3743
            9   C1x C    28.2850  -19.0315
            10  C1x C    29.5034  -18.3751
            11  C1z C    29.4469  -17.0593
            12  C1x C    30.6040  -16.4115
            13  C1x C    30.6199  -15.0879
            14  C1x C    29.4791  -14.4051
            15  C1x C    27.0548  -14.6856
            16  C1x C    26.3696  -15.8057
            17  O2x O    28.2680  -17.6906
            18  C1y C    27.1505  -18.3588
            19  C1z C    27.1661  -17.0222
            20  N1y N    25.9938  -19.0281
            21  C5a C    25.9904  -20.3299
            22  C1a C    27.1243  -20.9849
            23  O5a O    24.8494  -20.9849
            24  C1x C    30.7376  -18.7662
            25  C1x C    29.5965  -19.4143
BOND        30
            1     8  11 1
            2    11  12 1
            3    12  13 1
            4    13  14 1
            5    14   7 1
            6     1   2 2
            7     7  15 1
            8    19   8 1
            9    15  16 1
            10   19  16 1 #Down
            11    8   7 1
            12    8  17 1 #Up
            13   18  19 1
            14    3   4 1
            15    4   5 2
            16   18   9 1
            17    1  20 1
            18   20  18 1
            19   19   2 1
            20    9  10 1
            21   10  11 1
            22   20  21 1
            23    5   1 1
            24   21  22 1
            25    2   6 1
            26   21  23 2
            27    6   3 2
            28   25  24 1
            29   11  24 1 #Up
            30   17  25 1

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