KEGG   COMPOUND: C06528Help
Entry
C06528                      Compound                               

Name
Cinchonine;
(9S)-Cinchonan-9-ol
Formula
C19H22N2O
Exact mass
294.1732
Mol weight
294.3908
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Biosynthesis of alkaloids derived from shikimate pathway
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Quinoline alkaloids
    C06528  Cinchonine
BRITE hierarchy
Other DBs
CAS: 
118-10-5
PubChem: 
ChEBI: 
3DMET: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        22
            1   C1y C    27.0075  -23.9701
            2   N1y N    28.4457  -23.1014
            3   C1c C    25.7865  -24.6688
            4   C1x C    26.2796  -22.9311
            5   C1x C    28.4457  -21.8510
            6   C1x C    29.9544  -23.8996
            7   C8y C    25.7806  -26.0717
            8   O1a O    24.5772  -23.9643
            9   C1y C    27.6885  -22.0857
            10  C1y C    27.6944  -21.0995
            11  C1x C    29.2501  -22.7961
            12  C8y C    24.5654  -26.7702
            13  C8x C    26.9958  -26.7820
            14  C2b C    27.1660  -19.8021
            15  C8y C    24.5596  -28.1733
            16  C8x C    23.3502  -26.0659
            17  C8x C    26.9900  -28.1851
            18  C2a C    28.0232  -18.6869
            19  N5x N    25.7688  -28.8836
            20  C8x C    23.3502  -28.8778
            21  C8x C    22.1351  -26.7702
            22  C8x C    22.1351  -28.1733
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 1
            7     3   8 1 #Down
            8     4   9 1
            9     5  10 1
            10    6  11 1
            11    7  12 1
            12    7  13 2
            13   10  14 1 #Up
            14   12  15 2
            15   12  16 1
            16   13  17 1
            17   14  18 2
            18   15  19 1
            19   15  20 1
            20   16  21 2
            21   20  22 2
            22    9  10 1
            23    9  11 1
            24   17  19 2
            25   21  22 1

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