KEGG   COMPOUND: C21586Help
Entry
C21586                      Compound                               

Name
(S)-1-Hydroxy-N-methylcanadine
Formula
C21H24NO5
Exact mass
370.1654
Mol weight
370.419
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
Other DBs
PubChem: 340125646
ChEBI: 141633
KCF data Show

ATOM        27
            1   C1y C    18.4715  -15.5217
            2   C8y C    17.2073  -14.8194
            3   N2y N    19.6655  -14.8194 #+
            4   C1x C    18.4715  -16.9264
            5   C8y C    17.2073  -13.4147
            6   C8y C    16.0133  -15.5217
            7   C1x C    20.8594  -15.4515
            8   C1x C    19.6655  -13.4147
            9   C1a C    20.6487  -13.7659
            10  C8y C    19.6655  -17.5585
            11  C8x C    16.0133  -12.7124
            12  C1x C    18.4013  -12.7124
            13  C8y C    14.7492  -14.8896
            14  C8y C    20.8594  -16.8561
            15  C8x C    19.7357  -18.9631
            16  C8y C    14.7492  -13.4850
            17  O2x O    13.4850  -15.3110
            18  C8y C    22.1236  -17.5585
            19  C8x C    20.9297  -19.6655
            20  O2x O    13.4147  -13.0636
            21  C1x C    12.6422  -14.1873
            22  C8y C    22.1236  -18.9631
            23  O2a O    23.3176  -16.8561
            24  O2a O    23.3176  -19.6655
            25  C1a C    24.5115  -17.5585
            26  C1a C    24.5818  -18.9631
            27  O1a O    16.0133  -16.9217
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     3   9 1
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14   10  15 1
            15   11  16 1
            16   13  17 1
            17   14  18 1
            18   15  19 2
            19   16  20 1
            20   17  21 1
            21   18  22 2
            22   18  23 1
            23   22  24 1
            24   23  25 1
            25   24  26 1
            26    8  12 1
            27   10  14 2
            28   13  16 2
            29   19  22 1
            30   20  21 1
            31    6  27 1

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