KEGG   COMPOUND: C20531Help
Entry
C20531                      Compound                               

Name
13-Desoxypaxilline;
13-Deoxypaxilline
Formula
C27H33NO3
Exact mass
419.246
Mol weight
419.5558
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 172232277
ChEMBL: CHEMBL2408948
KCF data Show

ATOM        31
            1   C8x C    11.4969  -15.1491
            2   C8x C    11.4969  -16.5525
            3   C8x C    12.6898  -17.1840
            4   C8y C    13.8827  -16.5525
            5   C8y C    13.8827  -15.1491
            6   C8x C    12.6898  -14.4473
            7   N4x N    15.2160  -16.9735
            8   C8y C    16.0580  -15.8508
            9   C8y C    15.2160  -14.7280
            10  C1z C    17.3211  -15.4297
            11  C1y C    17.3211  -14.0263
            12  C1x C    16.0580  -13.6053
            13  C1z C    18.5842  -16.0613
            14  C1y C    19.7771  -15.4297
            15  C1x C    19.7771  -14.0263
            16  C1x C    18.5842  -13.3246
            17  C1x C    18.5842  -17.4647
            18  C1x C    19.7771  -18.1665
            19  C1y C    20.9701  -17.4647
            20  C2y C    20.9701  -16.0613
            21  O2x O    22.1630  -18.1665
            22  C1y C    23.3559  -17.4647
            23  C5x C    23.3559  -16.0613
            24  C2x C    22.1630  -15.4297
            25  C1a C    17.3913  -16.8332
            26  C1d C    24.6190  -18.1665
            27  C1a C    18.0228  -14.5877
            28  O5x O    24.6190  -15.3596
            29  O1a O    25.8119  -17.4647
            30  C1a C    24.6190  -19.7804
            31  C1a C    25.8119  -18.8682
BOND        36
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11    8  10 1
            12   10  11 1
            13   11  12 1
            14    9  12 1
            15   10  13 1
            16   13  14 1
            17   14  15 1
            18   15  16 1
            19   11  16 1
            20   13  17 1
            21   17  18 1
            22   18  19 1
            23   19  20 1
            24   14  20 1
            25   19  21 1
            26   21  22 1
            27   22  23 1
            28   23  24 1
            29   20  24 2
            30   10  25 1 #Down
            31   22  26 1 #Up
            32   13  27 1 #Up
            33   23  28 2
            34   26  29 1
            35   26  30 1
            36   26  31 1

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