KEGG   COMPOUND: C20436
Entry
C20436                      Compound                               
Name
Fumigaclavine A
Formula
C18H22N2O2
Exact mass
298.1681
Mol weight
298.38
Structure
Reaction
R10200 R10201
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00964  Fumigaclavine biosynthesis, chanoclavine-I aldehyde => fumigaclavine C
Enzyme
2.3.1.205       2.5.1.100
Brite
Secondary metabolites in pathway maps [br08011.html]
 Biosynthetic pathways and modules of secondary metabolites
  C20436
Other DBs
CAS: 6879-59-0
PubChem: 163312173
LinkDB
KCF data

ATOM        22
            1   C8y C    17.4518  -18.2409
            2   C8y C    17.4576  -16.8812
            3   C8y C    18.6279  -18.9301
            4   C8y C    16.2757  -18.9242
            5   C1y C    18.6396  -16.2093
            6   C8x C    16.2816  -16.2036
            7   C1x C    19.8097  -18.2596
            8   C8x C    18.6279  -20.2328
            9   N4x N    16.3399  -20.2152
            10  C8x C    15.1113  -18.2409
            11  C1y C    19.8097  -16.8986
            12  C1y C    18.6512  -14.8614
            13  C8x C    15.1113  -16.8812
            14  N1y N    20.9989  -16.2398
            15  C1y C    19.8403  -14.1837
            16  C1x C    21.0105  -14.8788
            17  C1a C    22.1572  -16.9045
            18  C1a C    19.8344  -12.8239
            19  O7a O    17.3695  -14.1723
            20  C7a C    17.3695  -12.7735
            21  O6a O    18.5519  -12.0910
            22  C1a C    16.1524  -12.0704
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 2
            8     4   9 1
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 1
            13   11  14 1
            14   12  15 1
            15   14  16 1
            16   14  17 1
            17   15  18 1 #Down
            18    7  11 1
            19    8   9 1
            20   10  13 2
            21   15  16 1
            22   12  19 1 #Up
            23   19  20 1
            24   20  21 2
            25   20  22 1

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