KEGG   COMPOUND: C05191Help
Entry
C05191                      Compound                               

Name
Dihydrosanguinarine;
13,14-Dihydro-13-methyl-[1,3]benzodioxolo[5,6-c]-1,3-dioxolo[4,5-i]phenanthridine
Formula
C20H15NO4
Exact mass
333.1001
Mol weight
333.3374
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        1.14.13.56
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05191  Dihydrosanguinarine
BRITE hierarchy
Other DBs
CAS: 
3606-45-9
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        25
            1   C8y C    25.3170  -19.5182
            2   C8y C    24.1073  -20.2144
            3   C8y C    26.5337  -20.2406
            4   C8x C    25.3406  -18.1256
            5   C8y C    24.0812  -21.6094
            6   C8x C    22.8930  -19.4944
            7   C8y C    27.7434  -19.5561
            8   N1y N    26.5218  -21.6450
            9   C8x C    26.5598  -17.4411
            10  C1x C    25.2979  -22.3318
            11  C8x C    21.6015  -20.2026
            12  C8y C    27.6969  -18.1540
            13  C8x C    28.9363  -20.2667
            14  C1a C    27.7384  -22.3438
            15  C8x C    28.9744  -17.4791
            16  C8y C    30.1531  -19.5727
            17  C8y C    30.1767  -18.1778
            18  O2x O    31.4672  -20.0292
            19  O2x O    31.5054  -17.7786
            20  C1x C    32.3084  -18.9146
            21  C8y C    22.8676  -22.3235
            22  C8y C    21.6596  -21.6070
            23  O2x O    20.6048  -22.5345
            24  C1x C    21.1611  -23.8241
            25  O2x O    22.5595  -23.6937
BOND        30
            1     2   6 1
            2     3   7 1
            3     3   8 1
            4     4   9 2
            5     5  21 1
            6     5  10 1
            7     6  11 2
            8     7  12 2
            9     7  13 1
            10    8  14 1
            11   12  15 1
            12   13  16 2
            13   15  17 2
            14   16  18 1
            15   17  19 1
            16   18  20 1
            17    8  10 1
            18    9  12 1
            19   11  22 1
            20   16  17 1
            21   19  20 1
            22    1   2 1
            23    1   3 2
            24    1   4 1
            25    2   5 2
            26   21  22 2
            27   22  23 1
            28   23  24 1
            29   24  25 1
            30   25  21 1

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