KEGG   COMPOUND: C20535Help
Entry
C20535                      Compound                               

Name
beta-PC-M6;
beta-10-Hydroxy-12-demethyl-11,12-dehydropaspaline
Formula
C27H35NO3
Exact mass
421.2617
Mol weight
421.5717
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 172232281
KCF data Show

ATOM        31
            1   C8x C    11.4254  -15.2072
            2   C8x C    11.4254  -16.6118
            3   C8x C    12.6193  -17.2438
            4   C8y C    13.8131  -16.6118
            5   C8y C    13.8131  -15.2072
            6   C8x C    12.6193  -14.5050
            7   N4x N    15.1474  -17.0331
            8   C8y C    15.9902  -15.9095
            9   C8y C    15.1474  -14.7859
            10  C1z C    17.2542  -15.4881
            11  C1y C    17.2542  -14.0836
            12  C1x C    15.9902  -13.6622
            13  C1z C    18.5183  -16.1202
            14  C1y C    19.7122  -15.4881
            15  C1x C    19.7122  -14.0836
            16  C1x C    18.5183  -13.3813
            17  C1x C    18.5183  -17.5247
            18  C1x C    19.7122  -18.2270
            19  C1y C    20.9060  -17.5247
            20  C2y C    20.9060  -16.1202
            21  O2x O    22.0999  -18.2270
            22  C1y C    23.2937  -17.5247
            23  C1y C    23.2937  -16.1202
            24  C2x C    22.0999  -15.4881
            25  C1a C    17.3245  -16.8927
            26  C1d C    24.5578  -18.2270
            27  C1a C    17.9565  -14.6454
            28  O1a O    25.7517  -17.5247
            29  C1a C    24.5578  -19.8422
            30  C1a C    25.7517  -18.9292
            31  O1a O    24.4970  -15.3957
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   26  28 1
            34   26  29 1
            35   26  30 1
            36   23  31 1 #Up

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