KEGG   COMPOUND: C13782
Entry
C13782                      Compound                               
Name
Paxilline
Formula
C27H33NO4
Exact mass
435.241
Mol weight
435.5552
Structure
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C13782  Paxilline
Other DBs
CAS: 57186-25-1
PubChem: 854027
ChEBI: 34907
KNApSAcK: C00023582
NIKKAJI: J31.896E
KCF data

ATOM        32
            1   C8x C    11.4645  -15.1021
            2   C8x C    11.4645  -16.4896
            3   C8x C    12.6662  -17.1834
            4   C8y C    13.8680  -16.4896
            5   C8y C    13.8680  -15.1021
            6   C8x C    12.6662  -14.4082
            7   N4x N    15.1876  -16.9184
            8   C8y C    16.0032  -15.7958
            9   C8y C    15.1876  -14.6733
            10  C1z C    17.3230  -15.3670
            11  C1y C    17.3230  -13.9795
            12  C1x C    16.0032  -13.5506
            13  C1z C    18.5246  -16.0609
            14  C1z C    19.7262  -15.3670
            15  C1x C    19.7262  -13.9795
            16  C1x C    18.5246  -13.2856
            17  C1x C    18.5246  -17.4485
            18  C1x C    19.7262  -18.1422
            19  C1y C    20.9280  -17.4485
            20  C2y C    20.9280  -16.0609
            21  O2x O    22.1297  -18.1422
            22  C1y C    23.3313  -17.4485
            23  C5x C    23.3313  -16.0609
            24  C2x C    22.1297  -15.3670
            25  C1a C    17.3373  -16.7659
            26  O1a O    20.9449  -14.6846
            27  C1d C    24.5520  -18.1532
            28  C1a C    17.9843  -14.5457
            29  O5x O    24.5420  -15.3617
            30  O1a O    25.7540  -17.4592
            31  C1a C    24.5520  -19.7495
            32  C1a C    25.7543  -18.8474
BOND        37
            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   14  26 1 #Down
            32   22  27 1 #Up
            33   13  28 1 #Up
            34   23  29 2
            35   27  30 1
            36   27  31 1
            37   27  32 1

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