KEGG   COMPOUND: C09619
Entry
C09619                      Compound                               
Name
Rhoeadine
Formula
C21H21NO6
Exact mass
383.1369
Mol weight
383.3945
Structure
Other DBs
CAS: 2718-25-4
PubChem: 11810
ChEBI: 8836
KNApSAcK: C00001911
3DMET: B03135
NIKKAJI: J7.900F
LinkDB
KCF data

ATOM        28
            1   C1y C    28.3739  -18.6207
            2   C1y C    29.7364  -18.3063
            3   C8y C    27.2676  -17.7531
            4   O2x O    27.9663  -19.9542
            5   C8y C    30.6913  -19.3311
            6   N1y N    30.3420  -17.0370
            7   C8y C    27.2676  -16.3616
            8   C8x C    26.0682  -18.4578
            9   C1y C    28.9212  -20.9847
            10  C8y C    30.2837  -20.6646
            11  C8x C    32.0538  -19.0226
            12  C1x C    29.7305  -15.7794
            13  C1a C    31.7394  -17.0370
            14  C8x C    26.0682  -15.6570
            15  C1x C    28.3623  -15.4766
            16  C8y C    24.8512  -17.7591
            17  O2a O    28.5428  -22.3239
            18  C8y C    31.2212  -21.6894
            19  C8x C    33.0030  -20.0415
            20  C8y C    24.8512  -16.3557
            21  O2x O    23.5120  -18.1900
            22  C1a C    27.1860  -22.6849
            23  C8y C    32.5837  -21.3750
            24  O2x O    31.0930  -23.0868
            25  O2x O    23.5178  -15.9133
            26  C1x C    22.6911  -17.0487
            27  O2x O    33.3057  -22.5803
            28  C1x C    32.3799  -23.6341
BOND        33
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 2
            10    5  11 1
            11    6  12 1
            12    6  13 1
            13    7  14 1
            14    7  15 1
            15    8  16 2
            16    9  17 1 #Up
            17   10  18 1
            18   11  19 2
            19   14  20 2
            20   16  21 1
            21   17  22 1
            22   18  23 2
            23   18  24 1
            24   20  25 1
            25   21  26 1
            26   23  27 1
            27   24  28 1
            28    9  10 1
            29   12  15 1
            30   16  20 1
            31   19  23 1
            32   25  26 1
            33   27  28 1

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