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 search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.1.107       1.3.3.8         1.5.3.12        1.14.14.100
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05191  Dihydrosanguinarine
BRITE hierarchy
Other DBs
CAS: 3606-45-9
PubChem: 7596
ChEBI: 17209
ChEMBL: CHEMBL465678
KNApSAcK: C00001847 C00024647
PDB-CCD: SGE[PDBj]
3DMET: B01824
NIKKAJI: J394.144B
LinkDB All DBs
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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