KEGG   COMPOUND: C16709Help
Entry
C16709                      Compound                               

Name
O-Methylandrocymbine
Formula
C22H27NO5
Exact mass
385.1889
Mol weight
385.4535
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01063  Biosynthesis of alkaloids derived from shikimate pathway
map01110  Biosynthesis of secondary metabolites
Enzyme
2.1.1.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C16709  O-Methylandrocymbine
BRITE hierarchy
Other DBs
PubChem: 96023233
ChEBI: 80674
ChEMBL: CHEMBL2032098
NIKKAJI: J1.013.205C
KCF data Show

ATOM        28
            1   C1z C    24.5703  -15.7928
            2   C8y C    23.5180  -14.9621
            3   C2y C    25.8799  -15.4995
            4   C2x C    24.1705  -17.0778
            5   C1x C    24.8745  -14.4881
            6   C8y C    23.5185  -13.6156
            7   C8y C    22.3461  -15.6319
            8   C1y C    26.4622  -14.2825
            9   C2x C    26.7975  -16.4890
            10  C2y C    25.0804  -18.0695
            11  C1x C    27.4169  -12.9588
            12  C8x C    22.3523  -12.9417
            13  C1x C    24.5725  -12.7736
            14  C8y C    21.1851  -14.9608
            15  O2a O    22.3375  -16.9806
            16  C1x C    25.8879  -13.0704
            17  N1y N    27.7995  -14.2513
            18  C5x C    26.3927  -17.7711
            19  O2a O    24.4347  -19.2446
            20  C8y C    21.1857  -13.6142
            21  O2a O    20.0302  -15.6599
            22  C1a C    21.1737  -17.6481
            23  C1a C    28.7693  -15.1830
            24  O5x O    27.3647  -18.7107
            25  C1a C    23.1241  -19.6240
            26  O2a O    19.9996  -12.9760
            27  C1a C    18.8579  -13.6757
            28  C1a C    18.6779  -15.2976
BOND        31
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Down
            5     2   6 2
            6     2   7 1
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 2
            14    7  15 1
            15    8  16 1
            16    8  17 1 #Down
            17    9  18 1
            18   10  19 1
            19   12  20 2
            20   14  21 1
            21   15  22 1
            22   17  23 1
            23   18  24 2
            24   19  25 1
            25   20  26 1
            26   26  27 1
            27   10  18 1
            28   11  17 1
            29   13  16 1
            30   14  20 1
            31   21  28 1

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