KEGG   COMPOUND: C06327Help
Entry
C06327                      Compound                               

Name
Chelirubine
Formula
C21H16NO5
Exact mass
362.1028
Mol weight
362.3554
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
Enzyme
1.3.1.107       1.5.3.12
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C06327  Chelirubine
BRITE hierarchy
Other DBs
CAS: 18203-11-7
PubChem: 8563
ChEBI: 17031
KNApSAcK: C00001821 C00024636
3DMET: B00934
NIKKAJI: J361.278C
KCF data Show

ATOM        27
            1   C8y C    25.3406  -19.4909
            2   C8y C    24.1309  -20.1872
            3   C8y C    26.5573  -20.2133
            4   C8x C    25.3643  -18.0983
            5   C8y C    24.1748  -21.5822
            6   C8y C    22.9166  -19.4672
            7   C8y C    27.7670  -19.5289
            8   N5y N    26.5454  -21.6178 #+
            9   C8x C    26.5834  -17.4139
            10  C8x C    25.3216  -22.3046
            11  C8x C    21.6950  -20.1754
            12  O2a O    22.8559  -18.0722
            13  C8y C    27.7907  -18.1268
            14  C8x C    28.9601  -20.2394
            15  C1a C    27.7621  -22.3167
            16  C1a C    21.7092  -17.3710
            17  C8x C    28.9981  -17.4518
            18  C8y C    30.1768  -19.5455
            19  C8y C    30.2005  -18.1505
            20  O2x O    31.4911  -20.0020
            21  O2x O    31.5290  -17.7514
            22  C1x C    32.3323  -18.8873
            23  C8y C    22.8912  -22.2963
            24  C8y C    21.6831  -21.5798
            25  O2x O    20.6283  -22.5073
            26  C1x C    21.1846  -23.7969
            27  O2x O    22.5830  -23.6666
BOND        32
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 2
            5     5  23 1
            6     5  10 1
            7     6  11 2
            8     6  12 1
            9     7  13 2
            10    7  14 1
            11    8  15 1
            12   12  16 1
            13   13  17 1
            14   14  18 2
            15   17  19 2
            16   18  20 1
            17   19  21 1
            18   20  22 1
            19    8  10 2
            20    9  13 1
            21   11  24 1
            22   18  19 1
            23   21  22 1
            24    1   2 1
            25    1   3 2
            26    1   4 1
            27    2   5 2
            28   23  24 2
            29   24  25 1
            30   25  26 1
            31   26  27 1
            32   27  23 1

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