KEGG   COMPOUND: C16710Help
Entry
C16710                      Compound                               

Name
N-Formyldemecolcine
Formula
C22H25NO6
Exact mass
399.1682
Mol weight
399.437
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C16710  N-Formyldemecolcine
BRITE hierarchy
Other DBs
CAS: 14686-61-4
PubChem: 96023234
ChEBI: 80675
ChEMBL: CHEMBL315193
NIKKAJI: J67.641A
KCF data Show

ATOM        29
            1   C2y C    24.4349  -15.0463
            2   C8y C    23.3612  -14.1988
            3   C2y C    25.7711  -14.7471
            4   C8y C    23.3617  -12.8249
            5   C8y C    22.1655  -14.8821
            6   C1y C    26.3652  -13.5054
            7   C8x C    22.1718  -12.1373
            8   C1x C    24.4371  -11.9658
            9   C8y C    20.9810  -14.1974
            10  O2a O    22.1567  -16.2582
            11  C1x C    25.7792  -12.2687
            12  N1c N    27.7296  -13.4735
            13  C8y C    20.9816  -12.8235
            14  O2a O    19.8026  -14.9107
            15  C1a C    20.9693  -16.9393
            16  C1a C    28.7191  -14.4241
            17  O2a O    19.7714  -12.1723
            18  C1a C    18.6065  -12.8862
            19  C1a C    18.4229  -14.5411
            20  C2x C    23.7207  -16.2834
            21  C2x C    24.4349  -17.5204
            22  C2y C    25.8146  -17.8902
            23  C5x C    27.0516  -17.1760
            24  C2x C    27.0516  -15.7476
            25  O5x O    28.2938  -17.8934
            26  O2a O    25.9962  -19.2731
            27  C1a C    27.3290  -19.8256
            28  C4a C    28.0993  -12.0938
            29  O4a O    27.3851  -10.8568
BOND        31
            1     1   2 1
            2     1   3 1
            3     2   4 2
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     4   8 1
            8     5   9 2
            9     5  10 1
            10    6  11 1
            11    6  12 1 #Down
            12    7  13 2
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   17  18 1
            18    8  11 1
            19    9  13 1
            20   14  19 1
            21    1  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 1
            26   24   3 2
            27   23  25 2
            28   22  26 1
            29   26  27 1
            30   12  28 1
            31   28  29 2

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