KEGG   COMPOUND: C11812Help
Entry
C11812                      Compound                               

Name
Lochnerinine
Formula
C22H26N2O4
Exact mass
382.1893
Mol weight
382.4528
Structure
Mol fileKCF fileDB search
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
BRITE hierarchy
Other DBs
PubChem: 13976
ChEBI: 6511
KNApSAcK: C00024458
3DMET: B05545
NIKKAJI: J492.789C
KCF data Show

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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