KEGG   COMPOUND: C03329Help
Entry
C03329                      Compound                               

Name
(S)-Canadine;
(S)-Tetrahydroberberine;
(13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine;
(-)-Canadine
Formula
C20H21NO4
Exact mass
339.1471
Mol weight
339.385
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Enzyme
1.3.3.8         1.14.19.68      2.1.1.122
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C03329  (S)-Canadine
BRITE hierarchy
Other DBs
CAS: 5096-57-1
PubChem: 6176
ChEBI: 16592
ChEMBL: CHEMBL490533
KNApSAcK: C00001827 C00028005
3DMET: B01651
NIKKAJI: J71.178K
LinkDB All DBs
KCF data Show

ATOM        25
            1   C1y C    26.3087  -19.9213
            2   C8y C    25.0849  -19.2452
            3   N1y N    27.5151  -19.2160
            4   C1x C    26.3146  -21.3084
            5   C8y C    25.0732  -17.8406
            6   C8x C    23.8842  -19.9679
            7   C1x C    28.7274  -19.8979
            8   C1x C    27.4977  -17.8174
            9   C8y C    27.5384  -22.0018
            10  C8x C    23.8435  -17.1528
            11  C1x C    26.2796  -17.1238
            12  C8y C    22.5846  -19.2860
            13  C8y C    28.6691  -21.2908
            14  C8x C    27.5443  -23.3948
            15  C8y C    22.6313  -17.8815
            16  O2x O    21.3258  -19.7406
            17  C8y C    29.9512  -21.9844
            18  C8x C    28.7624  -24.0766
            19  O2x O    21.2909  -17.4618
            20  C1x C    20.4808  -18.6158
            21  C8y C    29.9629  -23.3772
            22  O2a O    31.1577  -21.2675
            23  O2a O    31.1751  -24.0709
            24  C1a C    32.3698  -21.9552
            25  C1a C    32.3931  -23.3656
BOND        29
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 2
            6     3   7 1
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    7  13 1
            13    9  14 1
            14   10  15 1
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   16  20 1
            20   17  21 2
            21   17  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25    8  11 1
            26    9  13 2
            27   12  15 2
            28   18  21 1
            29   19  20 1

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