KEGG   COMPOUND: C18071Help
Entry
C18071                      Compound                               

Name
N1,N5,N10-Triferuloyl spermidine
Formula
C37H43N3O9
Exact mass
673.2999
Mol weight
673.752
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-       2.1.1.-
Other DBs
PubChem: 96024289
ChEBI: 81479
NIKKAJI: J1.954.618G
KCF data Show

ATOM        49
            1   C8y C     8.1933  -14.6360
            2   C8y C     8.1933  -16.0366
            3   C8x C     9.4063  -16.7369
            4   C8x C    10.6193  -16.0366
            5   C8y C    10.6193  -14.6360
            6   C8x C     9.4063  -13.9357
            7   C2b C    11.8572  -13.9357
            8   C2b C    13.0702  -14.6360
            9   C5a C    14.2832  -13.9357
            10  N1b N    15.4962  -14.6360
            11  C1b C    16.7091  -13.9357
            12  C1b C    17.9220  -14.6360
            13  C1b C    19.1349  -13.9357
            14  N1c N    20.3479  -14.6360
            15  C1b C    21.5609  -13.9357
            16  C1b C    22.7738  -14.6360
            17  C1b C    23.9867  -13.9357
            18  C1b C    25.1996  -14.6360
            19  N1b N    26.4127  -13.9357
            20  C5a C    27.6255  -14.6360
            21  C2b C    28.8384  -13.9357
            22  C2b C    30.0514  -14.6360
            23  C8y C    31.2643  -13.9357
            24  O1a O     6.9804  -16.7369
            25  O5a O    14.2832  -12.5351
            26  C5a C    20.3479  -16.0366
            27  O5a O    19.1580  -16.7238
            28  C2b C    21.5837  -16.7502
            29  C2b C    21.5837  -18.1509
            30  C8y C    22.7965  -18.8512
            31  C8x C    22.7965  -20.2517
            32  C8x C    24.0095  -20.9520
            33  C8y C    25.2224  -20.2517
            34  C8y C    25.2224  -18.8512
            35  C8x C    24.0095  -18.1509
            36  O1a O    26.4207  -20.9434
            37  O5a O    27.6255  -16.0362
            38  C8x C    32.4773  -14.6360
            39  C8y C    33.6902  -13.9357
            40  C8y C    33.6902  -12.5351
            41  C8x C    32.4773  -11.8348
            42  C8x C    31.2643  -12.5351
            43  O1a O    34.8984  -11.8375
            44  O2a O     6.9802  -13.9355
            45  O2a O    26.4318  -18.1529
            46  O2a O    34.8978  -14.6329
            47  C1a C     5.7850  -14.6256
            48  C1a C    27.6550  -18.8594
            49  C1a C    36.1354  -13.9180
BOND        51
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     5   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16   15  16 1
            17   16  17 1
            18   17  18 1
            19   18  19 1
            20   19  20 1
            21   20  21 1
            22   21  22 2
            23   22  23 1
            24    2  24 1
            25    9  25 2
            26   14  26 1
            27   26  27 2
            28   26  28 1
            29   28  29 2
            30   29  30 1
            31   30  31 1
            32   31  32 2
            33   32  33 1
            34   33  34 2
            35   34  35 1
            36   30  35 2
            37   33  36 1
            38   20  37 2
            39   23  38 2
            40   38  39 1
            41   39  40 2
            42   40  41 1
            43   41  42 2
            44   23  42 1
            45   40  43 1
            46    1  44 1
            47   34  45 1
            48   39  46 1
            49   44  47 1
            50   45  48 1
            51   46  49 1

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