KEGG   COMPOUND: C21897
Entry
C21897                      Compound                               
Name
Dihydrochanoclavine-I aldehyde
Formula
C16H20N2O
Exact mass
256.1576
Mol weight
256.3428
Structure
Reaction
R12090 R12091
Pathway
map00901  Indole alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Module
M00964  Fumigaclavine biosynthesis, chanoclavine-I aldehyde => fumigaclavine C
Enzyme
1.3.1.100
LinkDB
KCF data

ATOM        19
            1   C8y C    18.6109  -18.8897
            2   C8x C    18.5412  -20.2837
            3   N4x N    16.3107  -20.2837
            4   C8y C    16.3107  -18.8897
            5   C8y C    17.4956  -18.2623
            6   C1y C    19.7958  -16.8683
            7   N1b N    20.9807  -16.1713
            8   C1a C    22.1657  -16.8683
            9   C1y C    18.6109  -16.2410
            10  C1b C    18.6109  -14.8469
            11  C1c C    19.7958  -14.1499
            12  C4a C    19.7958  -12.8256
            13  C1a C    20.9807  -14.6369
            14  C8x C    15.1257  -18.2623
            15  C8x C    15.1257  -16.8683
            16  C8x C    16.3107  -16.2410
            17  C8y C    17.4959  -16.8683
            18  C1x C    19.7958  -18.2623
            19  O4a O    20.9807  -12.1285
BOND        21
            1     2   3 1
            2    10  11 1
            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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