KEGG   COMPOUND: C05179
Entry
C05179                      Compound                               

Name
Salutaridine;
Sinoacutine;
5,6,8,14-Tetradehydro-4-hydroxy-3,6-dimethoxy-17-methyl-morphinan-7-one
Formula
C19H21NO4
Exact mass
327.1471
Mol weight
327.3743
Structure
Reaction
Pathway
map00950  Isoquinoline alkaloid biosynthesis
map01100  Metabolic pathways
map01110  Biosynthesis of secondary metabolites
Enzyme
1.1.1.248       1.14.19.67
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C05179  Salutaridine
Other DBs
CAS: 1936-18-1
PubChem: 7590
ChEBI: 17225
ChEMBL: CHEMBL404097
KNApSAcK: C00001916
3DMET: B01822
NIKKAJI: J7.824G
KCF data

ATOM        24
            1   C1z C    25.8244  -20.6436
            2   C8y C    25.8244  -19.2802
            3   C2y C    26.9955  -21.3312
            4   C2x C    24.6416  -21.3137
            5   C1x C    26.9955  -19.9504
            6   C8y C    27.0012  -18.6044
            7   C8y C    24.6416  -18.6044
            8   C1y C    28.1782  -20.6495
            9   C2x C    26.9895  -22.6888
            10  C2y C    24.6299  -22.6712
            11  C1x C    29.3493  -19.9678
            12  C1x C    28.1840  -19.2919
            13  C8x C    27.0012  -17.2410
            14  C8y C    24.6416  -17.2410
            15  O1a O    23.4588  -19.2919
            16  N1y N    29.3610  -21.3371
            17  C5x C    25.8068  -23.3587
            18  O2a O    23.4472  -23.3471
            19  C8x C    25.8301  -16.5535
            20  O2a O    23.4588  -16.5535
            21  C1a C    30.6777  -20.9758
            22  O5x O    25.7953  -24.7280
            23  C1a C    22.2701  -22.6596
            24  C1a C    22.2761  -17.2352
BOND        27
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 2
            7     3   8 1
            8     3   9 2
            9     4  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 2
            13    7  14 1
            14    7  15 1
            15    8  16 1 #Up
            16    9  17 1
            17   10  18 1
            18   13  19 1
            19   14  20 1
            20   16  21 1
            21   17  22 2
            22   18  23 1
            23   20  24 1
            24    8  12 1
            25   10  17 1
            26   11  16 1
            27   14  19 2

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