KEGG   COMPOUND: C09541Help
Entry
C09541                      Compound                               

Name
(S)-Isoboldine;
(+)-Isoboldine;
Isoboldine;
2,10-Dimethoxy-6aalpha-aporphine-1,9-diol
Formula
C19H21NO4
Exact mass
327.1471
Mol weight
327.3743
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of alkaloids derived from shikimate pathway
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C09541  (S)-Isoboldine
BRITE hierarchy
Other DBs
CAS: 
3019-51-0
PubChem: 
ChEBI: 
KNApSAcK: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        24
            1   C8y C    27.3256  -15.6480
            2   C8y C    26.1213  -16.3496
            3   C1y C    28.5359  -16.3556
            4   C8y C    27.3316  -14.2448
            5   C8y C    26.1270  -17.7529
            6   C8y C    24.9051  -15.6480
            7   C1x C    28.5359  -17.7529
            8   N1y N    29.7637  -15.6597
            9   C8x C    26.1270  -13.5431
            10  C1x C    28.5534  -13.5491
            11  C8y C    27.3199  -18.4428
            12  C8x C    24.9227  -18.4369
            13  C8y C    24.9051  -14.2448
            14  O1a O    23.6890  -16.3556
            15  C1x C    29.7696  -14.2565
            16  C1a C    30.9740  -16.3613
            17  C8x C    27.3199  -19.8343
            18  C8y C    24.9168  -19.8284
            19  O2a O    23.6831  -13.5431
            20  C8y C    26.1213  -20.5300
            21  O2a O    23.6948  -20.5300
            22  C1a C    22.4611  -14.2390
            23  O1a O    26.1096  -21.9333
            24  C1a C    22.4787  -19.8284
BOND        27
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1
            8     4   9 2
            9     4  10 1
            10    5  11 2
            11    5  12 1
            12    6  13 2
            13    6  14 1
            14    8  15 1
            15    8  16 1
            16   11  17 1
            17   12  18 2
            18   13  19 1
            19   17  20 2
            20   18  21 1
            21   19  22 1
            22   20  23 1
            23   21  24 1
            24    7  11 1
            25    9  13 1
            26   10  15 1
            27   18  20 1

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