KEGG   COMPOUND: C09670Help
Entry
C09670                      Compound                               

Name
Xylopine
Formula
C18H17NO3
Exact mass
295.1208
Mol weight
295.3325
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09670  Xylopine
BRITE hierarchy
Other DBs
CAS: 517-71-5
PubChem: 11860
ChEBI: 10083
ChEMBL: CHEMBL452201
KNApSAcK: C00001928
3DMET: B03182
NIKKAJI: J13.983A
LinkDB All DBs
KCF data Show

ATOM        22
            1   C8y C    26.5301  -15.9694
            2   C8y C    27.7472  -15.2705
            3   C8y C    26.5358  -17.3668
            4   C8y C    25.3189  -15.2705
            5   C1y C    28.9584  -15.9694
            6   C8y C    27.7529  -13.8613
            7   C8y C    27.7413  -18.0656
            8   C8x C    25.3363  -18.0599
            9   C8y C    25.3189  -13.8670
            10  O2x O    23.9853  -15.7073
            11  C1x C    28.9584  -17.3668
            12  N1x N    30.1871  -15.2763
            13  C8x C    26.5358  -13.1565
            14  C1x C    28.9759  -13.1625
            15  C8x C    27.7413  -19.4575
            16  C8x C    25.3306  -19.4516
            17  O2x O    23.9853  -13.4419
            18  C1x C    23.1642  -14.5717
            19  C1x C    30.1930  -13.8729
            20  C8y C    26.5301  -20.1504
            21  O2a O    26.5301  -21.5480
            22  C1a C    25.3235  -22.2446
BOND        26
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 1
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 1
            17   10  18 1
            18   12  19 1
            19   15  20 2
            20   20  21 1
            21    7  11 1
            22    9  13 1
            23   14  19 1
            24   16  20 1
            25   17  18 1
            26   21  22 1

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