KEGG   COMPOUND: C09390Help
Entry
C09390                      Compound                               

Name
Cephaeline
Formula
C28H38N2O4
Exact mass
466.2832
Mol weight
466.6123
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Metabolic pathways
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09390  Cephaeline
BRITE hierarchy
Other DBs
CAS: 
483-17-0
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        34
            1   C1y C    29.4832  -13.4202
            2   C8y C    28.2751  -12.7257
            3   N1y N    30.7030  -12.7374
            4   C1x C    29.4715  -14.8208
            5   C8y C    28.2809  -11.3251
            6   C8x C    27.0728  -13.4261
            7   C1x C    31.9051  -13.4435
            8   C1x C    30.7087  -11.3368
            9   C1y C    30.6796  -15.5271
            10  C8x C    27.0728  -10.6190
            11  C1x C    29.4949  -10.6247
            12  C8y C    25.8531  -12.7257
            13  C1y C    31.8934  -14.8442
            14  C1b C    30.6679  -16.9277
            15  C8y C    25.8531  -11.3251
            16  O2a O    24.6393  -13.4261
            17  C1b C    33.1015  -15.5388
            18  C1y C    29.4482  -17.6222
            19  O2a O    24.6393  -10.6190
            20  C1a C    23.4195  -12.7257
            21  C1a C    34.3153  -14.8267
            22  C8y C    29.4948  -19.0228
            23  N1x N    28.2518  -16.9044
            24  C1a C    23.4254  -11.3193
            25  C8y C    28.2051  -19.6998
            26  C8x C    30.6212  -19.7523
            27  C1x C    27.0261  -17.5814
            28  C8x C    28.2400  -21.0945
            29  C1x C    27.0087  -18.9820
            30  C8y C    30.5919  -21.1529
            31  C8y C    29.3607  -21.8182
            32  O2a O    31.7942  -21.8649
            33  O1a O    29.3548  -23.2189
            34  C1a C    31.7651  -23.2656
BOND        38
            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   16  20 1
            20   17  21 1
            21   18  22 1
            22   18  23 1
            23   19  24 1
            24   22  25 2
            25   22  26 1
            26   23  27 1
            27   25  28 1
            28   25  29 1
            29   26  30 2
            30   28  31 2
            31   30  32 1
            32   31  33 1
            33   32  34 1
            34    8  11 1
            35    9  13 1
            36   12  15 1
            37   27  29 1
            38   30  31 1

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