KEGG   COMPOUND: C09241Help
Entry
C09241                      Compound                               

Name
Serpentine;
Serpentine (alkaloid)
Formula
C21H20N2O3
Exact mass
348.1474
Mol weight
348.3951
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.14.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09241  Serpentine
BRITE hierarchy
Other DBs
CAS: 18786-24-8
PubChem: 11432
ChEBI: 9119
ChEMBL: CHEMBL3559488
KNApSAcK: C00001769
3DMET: B02794
NIKKAJI: J10.977K J247.674F
LinkDB All DBs
KCF data Show

ATOM        26
            1   C8x C    20.8471  -17.9806
            2   C8x C    21.4255  -19.2593
            3   C8x C    22.8270  -19.3994
            4   C8x C    21.6701  -16.8420
            5   C8y C    23.0624  -16.9785
            6   C8y C    23.6370  -18.2628
            7   N4x N    25.0382  -18.1176 #-
            8   C8y C    24.1075  -16.0372
            9   C8y C    25.3173  -16.7445
            10  C8x C    25.3251  -13.9374
            11  C8x C    24.1082  -14.6350
            12  N5y N    26.5413  -14.6419 #+
            13  C8y C    26.5285  -16.0427
            14  C1x C    27.7357  -16.7438
            15  C1x C    27.7576  -13.9513
            16  C1y C    28.9583  -14.6549
            17  C1y C    28.9493  -16.0474
            18  C2y C    30.1466  -16.7568
            19  C2x C    31.3591  -16.0711
            20  C1y C    30.1707  -13.9692
            21  O2x O    31.3724  -14.6785
            22  C1a C    30.2009  -12.5655
            23  C7a C    30.1969  -18.1578
            24  O7a O    31.2327  -19.0063
            25  O6a O    29.0035  -19.0144
            26  C1a C    32.5202  -18.3109
BOND        30
            1     5   6 2
            2     6   7 1
            3    12  13 2
            4    13  14 1
            5    14  17 1
            6    16  15 1
            7    15  12 1
            8     7   9 1
            9     8   5 1
            10    3   6 1
            11    5   4 1
            12   16  17 1
            13   17  18 1
            14   18  19 2
            15   19  21 1
            16   20  16 1
            17    4   1 2
            18   20  21 1
            19    8   9 2
            20   20  22 1 #Down
            21    9  13 1
            22   18  23 1
            23   12  10 1
            24   10  11 2
            25   11   8 1
            26   23  24 1
            27    1   2 1
            28    2   3 2
            29   23  25 2
            30   24  26 1

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