KEGG   COMPOUND: C09227Help
Entry
C09227                      Compound                               

Name
Mitraphylline
Formula
C21H24N2O4
Exact mass
368.1736
Mol weight
368.4263
Structure
Mol fileKCF fileDB search
Brite
Major components of natural products [BR:br08323]
 Medicinal herbs
  Cat's claw
   C09227  Mitraphylline
BRITE hierarchy
Other DBs
CAS: 509-80-8
PubChem: 11418
ChEBI: 6957
ChEMBL: CHEMBL2135897
KNApSAcK: C00001752
3DMET: B02783
NIKKAJI: J12.205J
LinkDB All DBs
KCF data Show

ATOM        27
            1   C1x C    28.0641  -18.0880
            2   C1x C    28.0641  -15.2504
            3   C1y C    29.2885  -15.9617
            4   C1y C    29.2826  -17.3839
            5   C2y C    30.4939  -18.0932
            6   C2x C    31.7255  -17.3942
            7   O2x O    31.7315  -15.9720
            8   C1y C    30.5059  -15.2556
            9   C1y C    26.8327  -17.3839
            10  N1y N    26.8295  -15.9612
            11  C1x C    25.4809  -15.5262
            12  C1x C    24.6498  -16.6704
            13  C1z C    25.4863  -17.8181
            14  C8x C    21.6924  -18.2570
            15  C8x C    21.6924  -19.6724
            16  C8x C    22.9240  -20.3836
            17  C8x C    22.9240  -17.5529
            18  C8y C    24.1411  -18.2570
            19  C8y C    24.1426  -19.6735
            20  N1x N    25.4914  -20.1101
            21  C5x C    26.3169  -18.9664
            22  C1a C    30.4941  -13.8351
            23  O5x O    27.3185  -19.9542
            24  C7a C    30.4872  -19.4964
            25  O7a O    31.7124  -20.2075
            26  C1a C    31.7124  -21.6159
            27  O6a O    29.2691  -20.2004
BOND        31
            1     4   5 1
            2     5   6 2
            3     6   7 1
            4    14  15 1
            5    15  16 2
            6    16  19 1
            7    18  17 1
            8    17  14 2
            9     7   8 1
            10    8   3 1
            11    9   1 1
            12    1   4 1
            13   18  19 2
            14   19  20 1
            15   20  21 1
            16   13  21 1 #Up
            17   13  18 1 #Down
            18    3   2 1
            19    8  22 1 #Down
            20    2  10 1
            21    9  10 1
            22   21  23 2
            23   10  11 1
            24   11  12 1
            25    5  24 1
            26   12  13 1
            27   24  25 1
            28   13   9 1
            29   25  26 1
            30    3   4 1
            31   24  27 2

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