KEGG   COMPOUND: C11681Help
Entry
C11681                      Compound                               

Name
19-epi-Cathenamine
Formula
C21H22N2O3
Exact mass
350.163
Mol weight
350.411
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00901  Indole alkaloid biosynthesis
map01110  Biosynthesis of secondary metabolites
Brite
Phytochemical compounds [BR:br08003]
 Alkaloids
  Alkaloids derived from tryptophan and anthranilic acid
   Indole alkaloids
    C11681  19-epi-Cathenamine
BRITE hierarchy
Other DBs
CAS: 73326-87-1
PubChem: 13846
ChEBI: 802
3DMET: B04309
NIKKAJI: J723.744H
KCF data Show

ATOM        26
            1   C8x C    20.7817  -18.1923
            2   C8x C    21.3957  -19.4401
            3   C8x C    22.7869  -19.5347
            4   C8x C    21.5555  -17.0323
            5   C8y C    22.9529  -17.1238
            6   C8y C    23.5670  -18.3718
            7   C1x C    25.0614  -14.0003
            8   C1x C    23.9507  -14.7405
            9   N1y N    26.2978  -14.6402
            10  C1y C    26.3472  -16.0363
            11  C1x C    27.5799  -16.6885
            12  C2x C    27.4812  -13.8963
            13  C2y C    28.7141  -14.5485
            14  C1y C    28.6905  -15.9385
            15  C2y C    29.9864  -16.5901
            16  C2x C    31.1692  -15.8580
            17  O2x O    31.1195  -14.4617
            18  C1y C    29.8936  -13.8101
            19  C1a C    29.8890  -12.4163
            20  C7a C    29.9552  -18.0530
            21  C8y C    25.1726  -16.7893
            22  C8y C    23.9400  -16.1526
            23  N4x N    24.9489  -18.1584
            24  O7a O    31.1888  -18.8289
            25  C1a C    31.2516  -20.2243
            26  O6a O    28.7607  -18.6748
BOND        30
            1     1   2 1
            2    21  10 1
            3     9   7 1
            4     7   8 1
            5    13  14 1
            6    14  15 1
            7    15  16 2
            8    16  17 1
            9    17  18 1
            10   18  13 1
            11    8  22 1
            12   18  19 1 #Up
            13    2   3 2
            14   15  20 1
            15    3   6 1
            16    5   4 1
            17    4   1 2
            18   21  22 2
            19   22   5 1
            20    6  23 1
            21   23  21 1
            22    9  10 1
            23   20  24 1
            24   10  11 1
            25   24  25 1
            26   11  14 1
            27   20  26 2
            28   13  12 2
            29   12   9 1
            30    5   6 2

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