KEGG   COMPOUND: C20530Help
Entry
C20530                      Compound                               

Name
Paspaline
Formula
C28H39NO2
Exact mass
421.2981
Mol weight
421.6148
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00403  Indole diterpene alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00661  Paspaline biosynthesis, geranylgeranyl-PP + indoleglycerol phosphate => paspaline
Enzyme
1.14.13.-
Brite
Natural toxins [BR:br08009]
 Fungal toxins
  Mycotoxins
   Indole diterpene alkaloids
    C20530  Paspaline
BRITE hierarchy
Other DBs
CAS: 11024-56-9
PubChem: 172232276
ChEMBL: CHEMBL2408947
KCF data Show

ATOM        31
            1   C8x C    11.5134  -15.1419
            2   C8x C    11.5134  -16.5463
            3   C8x C    12.7071  -17.1783
            4   C8y C    13.9009  -16.5463
            5   C8y C    13.9009  -15.1419
            6   C8x C    12.7071  -14.4397
            7   N4x N    15.2351  -16.9676
            8   C8y C    16.0777  -15.8441
            9   C8y C    15.2351  -14.7205
            10  C1z C    17.3417  -15.4228
            11  C1y C    17.3417  -14.0183
            12  C1x C    16.0777  -13.5970
            13  C1z C    18.6057  -16.0547
            14  C1y C    19.7994  -15.4228
            15  C1x C    19.7994  -14.0183
            16  C1x C    18.6057  -13.3161
            17  C1x C    18.6057  -17.4592
            18  C1x C    19.7994  -18.1614
            19  C1y C    20.9932  -17.4592
            20  C1z C    20.9932  -16.0547
            21  O2x O    22.1869  -18.1614
            22  C1y C    23.3807  -17.4592
            23  C1x C    23.3807  -16.0547
            24  C1x C    22.1869  -15.4228
            25  C1a C    17.4119  -16.8272
            26  C1d C    24.6447  -18.1614
            27  C1a C    18.0439  -14.5801
            28  O1a O    25.8384  -17.4592
            29  C1a C    24.6447  -19.7764
            30  C1a C    25.8384  -18.8636
            31  C1a C    20.9932  -14.6503
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 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

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