KEGG   COMPOUND: C12179
Entry
C12179                      Compound                               
Name
Tazettine;
Sekisanin
Formula
C18H21NO5
Exact mass
331.142
Mol weight
331.363
Structure
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C12179  Tazettine
Natural toxins [BR:br08009]
 Phytotoxins
  Alkaloids
   Isoquinoline alkaloids
    C12179  Tazettine
Other DBs
CAS: 507-79-9
PubChem: 14325
ChEBI: 32185
KNApSAcK: C00024438
NIKKAJI: J12.225D
KCF data

ATOM        24
            1   C1z C    29.1307  -20.6123
            2   C1y C    30.3397  -19.9052
            3   C1x C    30.3319  -18.5048
            4   C1y C    29.1151  -17.8111
            5   C2x C    27.9061  -18.5182
            6   C2x C    27.9139  -19.9188
            7   C8x C    26.7120  -23.4121
            8   C8x C    26.7120  -20.6123
            9   C8y C    27.9202  -21.3123
            10  C8y C    27.9141  -22.7122
            11  C1x C    29.1234  -23.4172
            12  O2x O    30.3389  -22.7225
            13  C1z C    30.3448  -21.3226
            14  C8y C    25.4967  -22.7122
            15  C8y C    25.5008  -21.3094
            16  O2x O    24.1679  -20.8719
            17  C1x C    23.3402  -22.0044
            18  O2x O    24.1613  -23.1417
            19  O2a O    29.1075  -16.4114
            20  N1y N    31.7397  -19.9052
            21  C1x C    31.7327  -21.3751
            22  C1a C    30.3158  -15.7047
            23  C1a C    32.7321  -18.9178
            24  O1a O    31.3297  -22.3092
BOND        28
            1     9  10 2
            2    10  11 1
            3    11  12 1
            4    12  13 1
            5    13   1 1
            6     1   9 1 #Up
            7     1   2 1
            8    14   7 2
            9     7  10 1
            10    9   8 1
            11   14  15 1
            12   15  16 1
            13   16  17 1
            14   17  18 1
            15   18  14 1
            16    8  15 2
            17    4  19 1 #Up
            18    2   3 1
            19    2  20 1
            20   13  21 1
            21    3   4 1
            22   20  21 1
            23    4   5 1
            24   19  22 1
            25    5   6 2
            26   20  23 1
            27    1   6 1
            28   13  24 1 #Up

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