KEGG   COMPOUND: C21584Help
Entry
C21584                      Compound                               

Name
7'-O-Dmethylcephaeline
Formula
C27H36N2O4
Exact mass
452.2675
Mol weight
452.5857
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.-
Other DBs
PubChem: 340125645
LinkDB All DBs
KCF data Show

ATOM        33
            1   C1y C    19.2508  -12.6944
            2   C8y C    17.9953  -11.9969
            3   N1y N    20.4365  -11.9969
            4   C1x C    19.1810  -14.0894
            5   C8y C    17.9953  -10.6020
            6   C8x C    16.8095  -12.6944
            7   C1x C    21.6222  -12.6944
            8   C1x C    20.4365  -10.6020
            9   C1y C    20.4365  -14.7869
            10  C8x C    16.8095   -9.9046
            11  C1x C    19.2508   -9.9046
            12  C8y C    15.6238  -11.9969
            13  C1y C    21.6222  -14.0894
            14  C1b C    20.4365  -16.1819
            15  C8y C    15.6238  -10.6020
            16  O2a O    14.3683  -12.6944
            17  C1b C    22.8079  -14.7869
            18  C1y C    19.1810  -16.8794
            19  O2a O    14.3683   -9.9046
            20  C1a C    24.0634  -14.0894
            21  C8y C    19.2508  -18.2743
            22  N1x N    17.9953  -16.1819
            23  C8y C    17.9255  -18.9718
            24  C8x C    20.3667  -18.9718
            25  C1x C    16.7398  -16.8096
            26  C8x C    17.9953  -20.3668
            27  C1x C    16.7398  -18.2046
            28  C8y C    20.2970  -20.3668
            29  C8y C    19.1112  -21.0643
            30  O1a O    21.5525  -21.1340
            31  O1a O    19.1112  -22.4593
            32  C1a C    13.1570  -10.6040
            33  C1a C    13.1570  -11.9950
BOND        37
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 2
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13    9  14 1
            14   10  15 2
            15   12  16 1
            16   13  17 1 #Down
            17   14  18 1
            18   15  19 1
            19   17  20 1
            20   18  21 1
            21   18  22 1
            22   21  23 2
            23   21  24 1
            24   22  25 1
            25   23  26 1
            26   23  27 1
            27   24  28 2
            28   26  29 2
            29   28  30 1
            30   29  31 1
            31    8  11 1
            32    9  13 1
            33   12  15 1
            34   25  27 1
            35   28  29 1
            36   19  32 1
            37   16  33 1

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