KEGG   COMPOUND: C11812
Entry
C11812                      Compound                               

Name
Lochnerinine
Formula
C22H26N2O4
Exact mass
382.1893
Mol weight
382.4528
Structure
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11812  Lochnerinine
Other DBs
PubChem: 13976
ChEBI: 6511
KNApSAcK: C00024458
3DMET: B05545
NIKKAJI: J492.789C
KCF data

ATOM        28
            1   C1z C    27.8297  -16.3374
            2   C1y C    28.9492  -15.6500
            3   C2y C    27.8355  -17.7030
            4   C8y C    25.4758  -16.3374
            5   C1x C    26.9593  -15.2131
            6   C1z C    30.2149  -16.3315
            7   N1y N    29.0075  -14.2669
            8   C2y C    29.0308  -18.3929
            9   N1x N    26.6528  -18.3929
            10  C8y C    25.4758  -17.7030
            11  C8x C    24.3002  -15.6674
            12  C1x C    27.5838  -14.0443
            13  C1x C    30.2266  -17.7089
            14  C1y C    31.4093  -15.6384
            15  C1b C    31.3743  -17.0040
            16  C1x C    30.2090  -13.5653
            17  C8x C    24.3002  -18.3988
            18  C8x C    23.1350  -16.3374
            19  C1y C    31.4150  -14.2552
            20  C1a C    32.5325  -16.3258
            21  C8y C    23.1350  -17.7030
            22  C7a C    29.0261  -19.7786
            23  O7a O    30.2365  -20.4613
            24  O6a O    27.8159  -20.4613
            25  C1a C    30.2294  -21.8546
            26  O2x O    32.6220  -14.9515
            27  O2a O    21.9233  -18.3907
            28  C1a C    20.7218  -17.6851
BOND        33
            1     2   6 1
            2     2   7 1
            3     3   8 2
            4     3   9 1
            5     4  10 2
            6     4  11 1
            7     5  12 1
            8     6  13 1
            9     6  14 1
            10    6  15 1 #Down
            11    7  16 1
            12   10  17 1
            13   11  18 2
            14   14  19 1
            15   15  20 1
            16   17  21 2
            17    7  12 1
            18    8  13 1
            19    9  10 1
            20   16  19 1
            21   18  21 1
            22    8  22 1
            23    1   2 1
            24   22  23 1
            25    1   3 1
            26   22  24 2
            27    1   4 1
            28   23  25 1
            29   19  26 1
            30   14  26 1
            31   21  27 1
            32    1   5 1 #Up
            33   27  28 1

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