KEGG   COMPOUND: C09097Help
Entry
C09097                      Compound                               

Name
Calycanthidine
Formula
C23H28N4
Exact mass
360.2314
Mol weight
360.4952
Structure
Mol fileKCF fileDB search
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C09097  Calycanthidine
BRITE hierarchy
Other DBs
CAS: 5516-85-8
PubChem: 11289
ChEBI: 3332
KNApSAcK: C00001700
3DMET: B02680
NIKKAJI: J16.101B
KCF data Show

ATOM        27
            1   C1z C    25.7039  -17.0756
            2   C1z C    27.2613  -19.2687
            3   C8y C    27.0045  -16.6730
            4   C1y C    24.9222  -15.9499
            5   C1x C    24.8698  -18.1547
            6   C8y C    25.9721  -19.6713
            7   C1y C    28.0428  -20.3770
            8   C1x C    28.0778  -18.1897
            9   C8y C    27.0454  -15.3141
            10  C8x C    28.1652  -17.3789
            11  N1y N    25.7505  -14.8650
            12  N1y N    23.6156  -16.3290
            13  C1x C    23.5749  -17.6880
            14  C8y C    25.9488  -21.0245
            15  C8x C    24.8114  -18.9771
            16  N1x N    27.2320  -21.4677
            17  N1y N    29.3436  -19.9804
            18  C1x C    29.3552  -18.6271
            19  C8x C    28.2295  -14.6665
            20  C8x C    29.4252  -16.7373
            21  C1a C    24.8872  -13.6107
            22  C1a C    22.8223  -15.2207
            23  C8x C    24.7647  -21.6836
            24  C8x C    23.6273  -19.6304
            25  C1a C    30.5627  -20.5462
            26  C8x C    29.3902  -15.3782
            27  C8x C    23.6681  -20.9895
BOND        32
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     1   5 1 #Up
            5     2   6 1
            6     2   7 1
            7     2   8 1 #Up
            8     3   9 2
            9     3  10 1
            10    4  11 1
            11    4  12 1
            12    5  13 1
            13    6  14 2
            14    6  15 1
            15    7  16 1
            16    7  17 1
            17    8  18 1
            18    9  19 1
            19   10  20 2
            20   11  21 1
            21   12  22 1
            22   14  23 1
            23   15  24 2
            24   17  25 1
            25   19  26 2
            26   23  27 2
            27    9  11 1
            28   12  13 1
            29   14  16 1
            30   17  18 1
            31   20  26 1
            32   24  27 1

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