KEGG   COMPOUND: C06167Help
Entry
C06167                      Compound                               

Name
1,2-Dehydroreticuline;
1,2-Dehydroreticulinium;
3,4-Dihydro-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-(methyl-14C)-isoquinolinium
Formula
C19H22NO4
Exact mass
328.1549
Mol weight
328.3823
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.5.1.27        1.5.-.-
Other DBs
CAS: 
16202-17-8
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    27.6940  -18.3004
            2   C2y C    28.8994  -17.6254
            3   C8y C    27.6883  -19.6903
            4   C8x C    26.5059  -17.6025
            5   C1b C    28.8994  -16.2470
            6   N2y N    30.0990  -18.3119 #+
            7   C8x C    26.4885  -20.3767
            8   C1x C    28.8879  -20.3883
            9   C8y C    25.3004  -18.2829
            10  C8y C    30.0990  -15.5549
            11  C1x C    30.0934  -19.6962
            12  C1a C    31.6384  -17.2744
            13  C8y C    25.2889  -19.6673
            14  O1a O    24.1066  -17.5910
            15  C8x C    31.2930  -16.2414
            16  C8x C    30.0990  -14.1765
            17  O2a O    24.0835  -20.3537
            18  C8y C    32.4812  -15.5493
            19  C8x C    31.2872  -13.4901
            20  C1a C    22.8839  -19.6557
            21  C8y C    32.4812  -14.1707
            22  O1a O    33.6635  -16.2645
            23  O2a O    33.6751  -13.5016
            24  C1a C    34.8631  -14.2053
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 1
            5     2   6 2
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 2
            15   10  16 1
            16   13  17 1
            17   15  18 1
            18   16  19 2
            19   17  20 1
            20   18  21 2
            21   18  22 1
            22   21  23 1
            23   23  24 1
            24    8  11 1
            25    9  13 2
            26   19  21 1

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