KEGG   COMPOUND: C18073Help
Entry
C18073                      Compound                               

Name
N1,N5-Di(hydroxyferuloyl)-N10-sinapoyl spermidine
Formula
C38H45N3O12
Exact mass
735.3003
Mol weight
735.7768
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00940  Phenylpropanoid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.-
Other DBs
PubChem: 96024291
ChEBI: 61516
NIKKAJI: J2.763.719A
KCF data Show

ATOM        53
            1   C8y C     8.1888  -14.6280
            2   C8y C     8.1888  -16.0278
            3   C8y C     9.4012  -16.7277
            4   C8x C    10.6135  -16.0278
            5   C8y C    10.6135  -14.6280
            6   C8x C     9.4012  -13.9281
            7   C2b C    11.8507  -13.9281
            8   C2b C    13.0630  -14.6280
            9   C5a C    14.2754  -13.9281
            10  N1b N    15.4877  -14.6280
            11  C1b C    16.7000  -13.9281
            12  C1b C    17.9122  -14.6280
            13  C1b C    19.1244  -13.9281
            14  N1c N    20.3368  -14.6280
            15  C1b C    21.5491  -13.9281
            16  C1b C    22.7613  -14.6280
            17  C1b C    23.9736  -13.9281
            18  C1b C    25.1858  -14.6280
            19  N1b N    26.3982  -13.9281
            20  C5a C    27.6104  -14.6280
            21  C2b C    28.8226  -13.9281
            22  C2b C    30.0350  -14.6280
            23  C8y C    31.2472  -13.9281
            24  O1a O     6.9766  -16.7277
            25  O5a O    14.2754  -12.5282
            26  C5a C    20.3368  -16.0278
            27  O5a O    19.1475  -16.7146
            28  C2b C    21.5719  -16.7410
            29  C2b C    21.5719  -18.1410
            30  C8y C    22.7840  -18.8409
            31  C8x C    22.7840  -20.2406
            32  C8y C    23.9964  -20.9405
            33  C8y C    25.2086  -20.2406
            34  C8y C    25.2086  -18.8409
            35  C8x C    23.9964  -18.1410
            36  O1a O    26.4062  -20.9319
            37  O5a O    27.6104  -16.0274
            38  C8x C    32.4595  -14.6280
            39  C8y C    33.6718  -13.9281
            40  C8y C    33.6718  -12.5282
            41  C8y C    32.4595  -11.8283
            42  C8x C    31.2472  -12.5282
            43  O1a O    34.8793  -11.8310
            44  O2a O     6.9764  -13.9279
            45  O2a O    26.4173  -18.1430
            46  O2a O    34.8787  -14.6249
            47  C1a C     5.7818  -14.6176
            48  C1a C    27.6399  -18.8491
            49  C1a C    36.1156  -13.9104
            50  O1a O     9.4012  -18.1298
            51  O1a O    23.9965  -22.3299
            52  O2a O    32.4596  -10.4301
            53  C1a C    33.6873   -9.7212
BOND        55
            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
            52    3  50 1
            53   32  51 1
            54   41  52 1
            55   52  53 1

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