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 search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.5.1.27        1.14.19.54
Other DBs
CAS: 16202-17-8
PubChem: 8421
ChEBI: 18363
KNApSAcK: C00027111
3DMET: B00913
NIKKAJI: J471.975A
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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