KEGG   COMPOUND: C06172Help
Entry
C06172                      Compound                               

Name
Neopinone
Formula
C18H19NO3
Exact mass
297.1365
Mol weight
297.3484
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06172  Neopinone
BRITE hierarchy
Other DBs
PubChem: 8423
ChEBI: 7510
3DMET: B05171
NIKKAJI: J1.972.242B
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1z C    25.8736  -21.2552
            2   C8y C    25.8736  -19.9387
            3   C2y C    27.0142  -21.9193
            4   C1y C    24.7329  -21.9022
            5   C1x C    27.0142  -20.5800
            6   C8y C    24.7272  -19.2804
            7   C8y C    27.0198  -19.2804
            8   C1y C    28.1604  -21.2666
            9   C2x C    27.0084  -23.2358
            10  O2x O    23.4277  -20.6027
            11  C5x C    24.7216  -23.2189
            12  C1x C    29.2955  -20.6027
            13  C8y C    24.7272  -17.9582
            14  C1x C    28.1662  -19.9444
            15  C8x C    27.0198  -17.9582
            16  N1y N    29.3068  -21.9306
            17  C1x C    25.8565  -23.8883
            18  O5x O    23.5411  -23.8827
            19  C8x C    25.8792  -17.2942
            20  O2a O    23.5865  -17.2942
            21  C1a C    30.5780  -21.5844
            22  C1a C    22.4346  -17.9525
BOND        26
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 1
            10    4  11 1
            11    5  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 2
            15    8  16 1 #Up
            16    9  17 1
            17   11  18 2
            18   13  19 2
            19   13  20 1
            20   16  21 1
            21   20  22 1
            22    6  10 1
            23    8  14 1
            24   11  17 1
            25   12  16 1
            26   15  19 1

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