KEGG   COMPOUND: C20587Help
Entry
C20587                      Compound                               

Name
Paspaline B
Formula
C28H37NO3
Exact mass
435.2773
Mol weight
435.5983
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.14.13.-
Other DBs
PubChem: 172232324
KCF data Show

ATOM        32
            1   C8x C    11.5534  -15.0538
            2   C8x C    11.5534  -16.4542
            3   C8x C    12.7437  -17.1543
            4   C8y C    13.9340  -16.4542
            5   C8y C    13.9340  -15.0538
            6   C8x C    12.7437  -14.3536
            7   N4x N    15.3343  -16.9443
            8   C8y C    16.1045  -15.7540
            9   C8y C    15.3343  -14.6337
            10  C1z C    17.3648  -15.3339
            11  C1y C    17.3648  -13.9335
            12  C1x C    16.1045  -13.5134
            13  C1z C    18.6251  -15.9640
            14  C1y C    19.8154  -15.3339
            15  C1x C    19.8154  -13.9335
            16  C1x C    18.6251  -13.3034
            17  C1x C    18.6251  -17.4344
            18  C1x C    19.8154  -18.1346
            19  C1y C    20.9357  -17.4344
            20  C1z C    20.9357  -15.9640
            21  O2x O    22.1260  -18.1346
            22  C1y C    23.3163  -17.4344
            23  C1x C    23.3163  -15.9640
            24  C1x C    22.1260  -15.3339
            25  C1a C    17.3648  -16.8042
            26  C1d C    24.5766  -18.1346
            27  C1a C    18.0650  -14.4937
            28  O1a O    25.7669  -17.4344
            29  C1a C    24.5766  -19.7450
            30  C1a C    25.7669  -18.8347
            31  C4a C    20.9357  -14.5637
            32  O4a O    22.1260  -13.8635
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 1
            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   20  31 1 #Up
            37   31  32 2

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