KEGG   COMPOUND: C16714Help
Entry
C16714                      Compound                               

Name
Kreysigine
Formula
C22H27NO5
Exact mass
385.1889
Mol weight
385.4535
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Isoquinoline alkaloid biosynthesis
Biosynthesis of alkaloids derived from shikimate pathway
Enzyme
2.1.1.-
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tyrosine
   Isoquinoline alkaloids
    C16714  Kreysigine
BRITE hierarchy
Other DBs
PubChem: 
ChEBI: 
KNApSAcK: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        28
            1   C8y C    24.4334  -12.5235
            2   C8y C    24.4334  -13.8992
            3   C1y C    25.6247  -14.5870
            4   N1y N    26.8161  -13.8992
            5   C1x C    26.8161  -12.5235
            6   C1x C    25.6247  -11.8357
            7   C8x C    23.2420  -11.8357
            8   C8y C    22.0506  -12.5235
            9   C8y C    22.0506  -13.8992
            10  C8y C    23.2420  -14.5870
            11  C1x C    26.2071  -15.9158
            12  C1x C    25.5193  -17.1072
            13  C1a C    28.0259  -14.5978
            14  O1a O    20.7218  -14.2552
            15  C8y C    22.9669  -16.3066
            16  C8y C    23.9396  -17.2793
            17  C8y C    21.6381  -16.6626
            18  C8y C    21.2821  -17.9914
            19  C8y C    22.2548  -18.9642
            20  C8x C    23.5836  -18.6081
            21  O2a O    20.4468  -15.9748
            22  O2a O    21.8913  -20.3219
            23  O2a O    19.9503  -18.3484
            24  C1a C    19.5943  -19.6772
            25  C1a C    19.1180  -16.3308
            26  O2a O    20.8409  -11.8249
            27  C1a C    20.8409  -10.4492
            28  C1a C    22.8812  -21.3118
BOND        31
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     1   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10   2 2
            12   11   3 1
            13   11  12 1
            14    4  13 1
            15    9  14 1
            16   10  15 1
            17   15  16 2
            18   16  12 1
            19   15  17 1
            20   17  18 2
            21   18  19 1
            22   19  20 2
            23   20  16 1
            24   17  21 1
            25   19  22 1
            26   18  23 1
            27   23  24 1
            28   21  25 1
            29    8  26 1
            30   26  27 1
            31   22  28 1

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