KEGG   COMPOUND: C05194Help
Entry
C05194                      Compound                               

Name
Dihydrochelirubine;
13,14-Dihydro-5-methoxy-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
Formula
C21H17NO5
Exact mass
363.1107
Mol weight
363.3634
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Metabolic pathways
Biosynthesis of secondary metabolites
Enzyme
1.3.1.107       1.5.3.12        1.14.13.57      2.1.1.119
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05194  Dihydrochelirubine
BRITE hierarchy
Other DBs
CAS: 
28342-26-9
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        27
            1   C8y C    25.3406  -19.4909
            2   C8y C    24.0609  -20.1872
            3   C8y C    26.5573  -20.2133
            4   C8x C    25.3643  -18.0983
            5   C8y C    24.1048  -21.5822
            6   C8y C    22.9166  -19.4672
            7   C8y C    27.7670  -19.5289
            8   N1y N    26.5454  -21.6178
            9   C8x C    26.5834  -17.4139
            10  C1x 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 1
            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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