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
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: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
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

» Japanese version

DBGET integrated database retrieval system