KEGG   COMPOUND: C20593Help
Entry
C20593                      Compound                               

Name
beta-Paxitriol;
10beta-Hydroxypaxilline
Formula
C27H35NO4
Exact mass
437.2566
Mol weight
437.5711
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Other DBs
PubChem: 254741162
KCF data Show

ATOM        32
            1   C8x C    13.8600  -15.6800
            2   C8x C    13.8600  -17.0800
            3   C8x C    15.0500  -17.7100
            4   C8y C    16.2400  -17.0800
            5   C8y C    16.2400  -15.6800
            6   C8x C    15.0500  -14.9800
            7   N4x N    17.5700  -17.5000
            8   C8y C    18.4100  -16.3800
            9   C8y C    17.5700  -15.2600
            10  C1z C    19.6700  -15.9600
            11  C1y C    19.6700  -14.5600
            12  C1x C    18.4100  -14.1400
            13  C1z C    20.9300  -16.5900
            14  C1z C    22.1200  -15.9600
            15  C1x C    22.1200  -14.5600
            16  C1x C    20.9300  -13.8600
            17  C1x C    20.9300  -17.9900
            18  C1x C    22.1200  -18.6900
            19  C1y C    23.3100  -17.9900
            20  C2y C    23.3100  -16.5900
            21  O2x O    24.5000  -18.6900
            22  C1y C    25.6900  -17.9900
            23  C1y C    25.6900  -16.5900
            24  C2x C    24.5000  -15.9600
            25  C1a C    19.7400  -17.3600
            26  O1a O    23.3100  -15.2600
            27  C1d C    26.9500  -18.6900
            28  C1a C    20.3700  -15.1200
            29  O1a O    26.9500  -15.8900
            30  O1a O    28.1400  -17.9900
            31  C1a C    26.9500  -20.3000
            32  C1a C    28.1400  -19.3900
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 1 #Up
            35   27  30 1
            36   27  31 1
            37   27  32 1

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