KEGG   COMPOUND: C20379
Entry
C20379                      Compound                               
Name
Chanoclavine-I aldehyde
Formula
C16H18N2O
Exact mass
254.1419
Mol weight
254.33
Structure
Reaction
R10128 R12090 R12094
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00963  Chanoclavine aldehyde biosynthesis, tryptophan => chanoclavine-I aldehyde
M00964  Fumigaclavine biosynthesis, chanoclavine-I aldehyde => fumigaclavine C
Enzyme
1.1.1.332       1.3.1.100
Other DBs
PubChem: 163312117
LinkDB
KCF data

ATOM        19
            1   C8y C    18.6486  -18.9184
            2   C8x C    18.5827  -20.2813
            3   N4x N    16.3096  -20.2885
            4   C8y C    16.3054  -18.9255
            5   C8y C    17.4821  -18.2367
            6   C1y C    19.8156  -16.8789
            7   N1b N    20.9872  -16.1940
            8   C1a C    22.1596  -16.8650
            9   C1y C    18.6368  -16.2061
            10  C2b C    18.6332  -14.8517
            11  C2c C    19.8057  -14.1736
            12  C4a C    19.8057  -12.8245
            13  C1a C    20.9782  -14.8446
            14  C8x C    15.1195  -18.2454
            15  C8x C    15.1195  -16.8893
            16  C8x C    16.2983  -16.2112
            17  C8y C    17.4639  -16.8893
            18  C1x C    19.8215  -18.2350
            19  O4a O    20.9749  -12.1288
BOND        21
            1     2   3 1
            2    10  11 2
            3     1   2 2
            4    11  12 1
            5    11  13 1
            6     6   7 1 #Down
            7     3   4 1
            8     7   8 1
            9    14  15 2
            10   15  16 1
            11   16  17 2
            12    4  14 1
            13    4   5 2
            14    5   1 1
            15    5  17 1
            16   17   9 1
            17    9   6 1
            18    6  18 1
            19   18   1 1
            20    9  10 1 #Up
            21   12  19 2

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