KEGG   COMPOUND: C07307Help
Entry
C07307                      Compound                               

Name
Deacetylipecoside
Formula
C25H33NO11
Exact mass
523.2054
Mol weight
523.5296
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C07307  Deacetylipecoside
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        37
            1   C1y C    26.0671  -15.2544
            2   C8y C    24.8672  -14.5501
            3   N1x N    27.2717  -14.5618
            4   C8y C    24.8731  -13.1648
            5   C8x C    23.6801  -15.2485
            6   C1x C    27.2776  -13.1764
            7   C1x C    26.0787  -12.4779
            8   C8x C    23.6801  -12.4722
            9   C8y C    22.4755  -14.5501
            10  C8y C    22.4755  -13.1648
            11  O1a O    21.2640  -15.2427
            12  O1a O    21.2640  -12.4722
            13  C1y C    27.2639  -19.6782
            14  C1y C    27.2639  -18.3148
            15  C1y C    28.4276  -20.3649
            16  C2b C    26.1000  -20.3475
            17  C2y C    28.4276  -17.6398
            18  C1b C    26.0720  -17.6258
            19  O2a O    29.4000  -21.9180
            20  O2x O    29.6101  -19.6782
            21  C2a C    24.9351  -19.6665
            22  C2x C    29.6101  -18.3148
            23  C7a C    28.4218  -16.3011
            24  C1y C    27.6765  -22.7506
            25  O7a O    29.5925  -15.6259
            26  O6a O    27.2522  -15.6318
            27  O2x O    26.5129  -22.0754
            28  C1y C    27.6765  -24.0893
            29  C1a C    30.7504  -16.3011
            30  C1y C    25.3491  -22.7506
            31  C1y C    26.5129  -24.7703
            32  O1a O    28.8532  -24.7703
            33  C1y C    25.3491  -24.0893
            34  C1b C    24.1901  -22.0754
            35  O1a O    26.5129  -26.1090
            36  O1a O    24.1901  -24.7703
            37  O1a O    23.1603  -22.9431
BOND        40
            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     8  10 2
            10    9  11 1
            11   10  12 1
            12    6   7 1
            13    9  10 1
            14   13  14 1
            15   13  15 1
            16   13  16 1
            17   14  17 1
            18   14  18 1
            19   15  19 1 #Up
            20   15  20 1
            21   16  21 2
            22   17  22 2
            23   17  23 1
            24   24  19 1 #Up
            25   23  25 1
            26   23  26 2
            27   24  27 1
            28   24  28 1
            29   25  29 1
            30   27  30 1
            31   28  31 1
            32   28  32 1 #Down
            33   30  33 1
            34   30  34 1 #Up
            35   31  35 1 #Up
            36   33  36 1 #Down
            37   34  37 1
            38   20  22 1
            39   31  33 1
            40   18   1 1

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