KEGG   COMPOUND: C11676
Entry
C11676                      Compound                               

Name
Lochnericine
Formula
C21H24N2O3
Exact mass
352.1787
Mol weight
352.4269
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
    C11676  Lochnericine
Other DBs
PubChem: 13841
ChEBI: 6510
ChEMBL: CHEMBL2011514
KNApSAcK: C00024457
3DMET: B05542
NIKKAJI: J7.577I
KCF data

ATOM        26
            1   C1z C    26.6458  -16.3324
            2   C1y C    27.7649  -15.6453
            3   C2y C    26.6515  -17.6976
            4   C8y C    24.2926  -16.3324
            5   C1x C    25.7756  -15.2085
            6   C1z C    29.0302  -16.3265
            7   N1y N    27.8232  -14.2625
            8   C2y C    27.8465  -18.3873
            9   N1x N    25.4692  -18.3873
            10  C8y C    24.2926  -17.6976
            11  C8x C    23.1173  -15.6626
            12  C1x C    26.3999  -13.9699
            13  C1x C    29.0419  -17.7035
            14  C1y C    30.2242  -15.6336
            15  C1b C    30.1893  -16.9988
            16  C1x C    29.0243  -13.5611
            17  C8x C    23.1173  -18.3932
            18  C8x C    21.9525  -16.3324
            19  C1y C    30.2300  -14.2508
            20  C1a C    31.3472  -16.3208
            21  C8x C    21.9525  -17.6976
            22  C7a C    27.8418  -19.7726
            23  O7a O    29.0518  -20.4550
            24  O6a O    26.6319  -20.4550
            25  C1a C    29.0448  -21.8479
            26  O2x O    31.4366  -14.9469
BOND        31
            1     1   5 1 #Up
            2     2   6 1
            3     2   7 1
            4     3   8 2
            5     3   9 1
            6     4  10 2
            7     4  11 1
            8     5  12 1
            9     6  13 1
            10    6  14 1
            11    6  15 1 #Down
            12    7  16 1
            13   10  17 1
            14   11  18 2
            15   14  19 1
            16   15  20 1
            17   17  21 2
            18    7  12 1
            19    8  13 1
            20    9  10 1
            21   16  19 1
            22   18  21 1
            23    8  22 1
            24    1   2 1
            25   22  23 1
            26    1   3 1
            27   22  24 2
            28    1   4 1
            29   23  25 1
            30   19  26 1
            31   14  26 1

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