| | COMPOUND: C12008 | |
Entry |
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Name |
|
Formula |
C119H154ClN21O40
|
Exact mass |
2552.035
|
Mol weight |
2554.0658
|
Structure |
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Pathway |
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Other DBs |
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KCF data |
ATOM 181
1 C1y C 10.9445 -25.9488
2 C1y C 10.9445 -27.3443
3 C1y C 9.7332 -28.0421
4 C1y C 8.5286 -27.3443
5 C1y C 8.5286 -25.9488
6 O2x O 9.7332 -25.2510
7 O2a O 12.1528 -25.2503
8 O1a O 7.3196 -28.0411
9 O2a O 12.1528 -28.0426
10 O1a O 9.7313 -29.4377
11 C1b C 7.3196 -25.2518
12 O1a O 6.1115 -25.9505
13 C1y C 12.1521 -29.4382
14 C1y C 13.3584 -30.1385
15 C1y C 13.3577 -31.5340
16 C1y C 12.1488 -32.2311
17 C1y C 10.9406 -31.5327
18 O2x O 10.9413 -30.1371
19 O1a O 12.1481 -33.6267
20 O1a O 14.5680 -29.4424
21 C1b C 9.7317 -32.2299
22 O1a O 14.5660 -32.2323
23 C1c C 8.5159 -18.9844
24 C5a C 9.7281 -19.6822
25 N1b N 10.9405 -18.9844
26 C1c C 12.1528 -19.6822
27 C5a C 13.3581 -18.9844
28 N1b N 14.5775 -19.6822
29 C1c C 15.7828 -18.9844
30 C5a C 16.9880 -19.6822
31 N1b N 18.2002 -18.9844
32 C1c C 19.4124 -19.6822
33 C5a C 20.6247 -18.9844
34 N1b N 21.8300 -19.6822
35 C1b C 23.0494 -18.9844
36 C5a C 24.2547 -19.6822
37 N1b N 25.4669 -18.9844
38 C1c C 26.6721 -19.6822
39 C5a C 27.8916 -18.9844
40 N1b N 29.0968 -19.6822
41 C1c C 30.3092 -18.9844
42 C1a C 31.5214 -19.6822
43 O5a O 9.7281 -21.0708
44 C8y C 12.1528 -21.0708
45 O5a O 13.3581 -17.5888
46 C1c C 15.7828 -17.3088
47 O1a O 16.9914 -16.6182
48 C1a C 14.5743 -16.6182
49 O5a O 16.9880 -21.0708
50 C8y C 19.4124 -21.0708
51 O5a O 20.6247 -17.5888
52 O5a O 24.2547 -21.0708
53 C1b C 26.6721 -21.5608
54 C1c C 27.8950 -22.2584
55 C1a C 27.8950 -23.6470
56 C1a C 29.1036 -21.5608
57 C8x C 10.9372 -21.7684
58 C8x C 10.9372 -23.1570
59 C8y C 12.1528 -23.8548
60 C8x C 13.3614 -23.1570
61 C8x C 13.3614 -21.7684
62 C8x C 18.1970 -21.7684
63 C8x C 18.1970 -23.1570
64 C8y C 19.4124 -23.8548
65 C8x C 20.6281 -23.1570
66 C8x C 20.6281 -21.7684
67 O1a O 19.4124 -25.2503
68 C1b C 7.3066 -19.6806
69 C1b C 7.3049 -21.0693
70 C1b C 6.0851 -21.7655
71 N1a N 6.0834 -23.1541
72 O5a O 27.8916 -17.5888
73 C5a C 30.3092 -17.5888
74 N1b N 31.5247 -16.8982
75 O5a O 29.0936 -16.8982
76 C1c C 31.8808 -15.5449
77 O6a O 29.7804 -14.3364
78 C7a C 31.1830 -14.3364
79 O7a O 31.8808 -13.1348
80 C1c C 11.3162 -11.1148
81 N1b N 12.5283 -10.4169
82 C5a C 13.7405 -11.1077
83 C1c C 14.9458 -10.4098
84 N1b N 16.1652 -11.1006
85 C5a C 17.3705 -10.4098
86 C1c C 18.5828 -11.0937
87 N1b N 19.7881 -10.4029
88 C5a C 21.0004 -11.0935
89 C1c C 22.2126 -10.3958
90 N1b N 23.4179 -11.0864
91 C5a C 24.6371 -10.3887
92 C1c C 25.8424 -11.0795
93 N1b N 27.0547 -10.3817
94 C5a C 28.2600 -11.0653
95 C1c C 29.4793 -10.3677
96 N1b N 30.6845 -11.0582
97 C5a C 31.8969 -10.3675
98 O5a O 13.7436 -12.5031
99 C8y C 15.0127 -9.0214
100 O5a O 17.3674 -9.0142
101 C8y C 18.5859 -12.4891
102 O5a O 21.0035 -12.4820
103 C1c C 22.2096 -8.7202
104 O1a O 23.4236 -8.0267
105 C1a C 20.9923 -8.0321
106 O5a O 24.6272 -9.0002
107 C1b C 25.8454 -12.4610
108 C1b C 24.6383 -13.1613
109 C1b C 24.6414 -14.5569
110 N1a N 23.4204 -15.2502
111 O5a O 28.2630 -12.4610
112 C8y C 29.4762 -8.9862
113 C1c C 33.1133 -11.0568
114 O5a O 31.8952 -8.9720
115 C1c C 33.0950 -12.4470
116 N1b N 34.3243 -10.3633
117 C5a C 34.3290 -8.9747
118 C1c C 35.5471 -8.2811
119 O5a O 33.1229 -8.2728
120 N1b N 36.7603 -8.9901
121 C1b C 35.5590 -6.8998
122 C5a C 34.3387 -6.1976
123 O5a O 34.3436 -4.8024
124 N1a N 33.1277 -6.8844
125 C5a C 38.1628 -8.9862
126 C2b C 38.8638 -10.1857
127 O5a O 38.8569 -7.7757
128 C2b C 40.2631 -10.2543
129 C2b C 40.9668 -8.9750
130 C2b C 42.3564 -8.9720
131 C1b C 43.0584 -7.7691
132 C1c C 44.4567 -7.7669
133 C1a C 45.1565 -8.9672
134 C1a C 45.1526 -6.5571
135 C5a C 34.3121 -13.1473
136 O5a O 34.2938 -14.3808
137 N1a N 35.5263 -12.4664
138 C8x C 30.6854 -8.2894
139 C8x C 30.6823 -6.9011
140 C8y C 29.4651 -6.2057
141 C8x C 28.2581 -6.9064
142 C8x C 28.2542 -8.2946
143 O1a O 29.4620 -4.8105
144 C8x C 17.3767 -13.1828
145 C8x C 17.3798 -14.5711
146 C8y C 18.5899 -15.2663
147 C8x C 19.8111 -14.5729
148 C8x C 19.8080 -13.1776
149 O1a O 18.5898 -16.6546
150 C8x C 16.2361 -8.3248
151 C8x C 16.2259 -6.9432
152 C8y C 15.0087 -6.2480
153 C8x C 13.8017 -6.9485
154 C8x C 13.8048 -8.3300
155 O1a O 15.0087 -4.8487
156 C1c C 10.0996 -10.4183
157 O1a O 10.0979 -9.0367
158 C5a C 11.3179 -12.5102
159 N1b N 10.1030 -13.2024
160 O5a O 12.5341 -13.1995
161 C1c C 9.3707 -14.5472
162 N1b N 8.5176 -17.5888
163 C5a C 9.9487 -16.0977
164 O5a O 11.3223 -16.3809
165 C1b C 7.9844 -14.4489
166 C8y C 7.2122 -15.5907
167 C8x C 5.8150 -15.4912
168 C8x C 5.0307 -16.6509
169 C8x C 5.6429 -17.9100
170 C8x C 7.0400 -18.0094
171 C8x C 7.8243 -16.8497
172 C1a C 8.8691 -11.1326
173 O1a O 8.5054 -31.5215
174 C8y C 35.4508 -15.5449
175 C8x C 36.1406 -16.7403
176 C8y C 37.5406 -16.7407
177 C8y C 38.2409 -15.5284
178 C8x C 37.5511 -14.3330
179 C8x C 36.1511 -14.3326
180 O1a O 39.6200 -15.5289
181 X Cl 38.2304 -17.9364
BOND 190
1 2 3 1
2 13 14 1
3 14 15 1
4 15 16 1
5 16 17 1
6 17 18 1
7 18 13 1
8 2 9 1 #Up
9 16 19 1 #Down
10 3 4 1
11 14 20 1 #Up
12 3 10 1 #Up
13 17 21 1 #Up
14 4 5 1
15 5 11 1 #Up
16 15 22 1 #Up
17 5 6 1
18 11 12 1
19 6 1 1
20 13 9 1 #Down
21 1 7 1 #Down
22 1 2 1
23 4 8 1 #Down
24 83 99 1 #Up
25 85 100 2
26 54 56 1
27 86 101 1 #Up
28 32 33 1
29 88 102 2
30 89 103 1
31 33 34 1
32 103 104 1
33 103 105 1 #Up
34 34 35 1
35 91 106 2
36 44 57 2
37 92 107 1 #Down
38 57 58 1
39 107 108 1
40 58 59 2
41 108 109 1
42 59 60 1
43 109 110 1
44 60 61 2
45 94 111 2
46 61 44 1
47 95 112 1 #Up
48 97 113 1
49 35 36 1
50 97 114 2
51 113 115 1
52 36 37 1
53 113 116 1 #Up
54 116 117 1
55 50 62 2
56 117 118 1
57 62 63 1
58 117 119 2
59 63 64 2
60 118 120 1 #Down
61 64 65 1
62 118 121 1
63 65 66 2
64 121 122 1
65 66 50 1
66 122 123 2
67 37 38 1
68 122 124 1
69 64 67 1
70 120 125 1
71 23 24 1
72 125 126 1
73 59 7 1
74 125 127 2
75 38 39 1
76 126 128 2
77 23 68 1 #Up
78 128 129 1
79 129 130 2
80 68 69 1
81 130 131 1
82 39 40 1
83 131 132 1
84 69 70 1
85 132 133 1
86 24 25 1
87 132 134 1
88 115 79 1
89 70 71 1
90 40 41 1
91 39 72 2
92 41 42 1 #Up
93 41 73 1
94 25 26 1
95 73 74 1
96 115 135 1 #Up
97 24 43 2
98 135 136 2
99 73 75 2
100 135 137 1
101 74 76 1
102 26 44 1 #Down
103 26 27 1
104 77 78 2
105 112 138 2
106 138 139 1
107 139 140 2
108 140 141 1
109 141 142 2
110 142 112 1
111 27 45 2
112 140 143 1
113 78 79 1
114 78 76 1
115 29 46 1
116 80 81 1 #Down
117 101 144 2
118 144 145 1
119 145 146 2
120 146 147 1
121 147 148 2
122 148 101 1
123 27 28 1
124 146 149 1
125 81 82 1
126 46 47 1
127 82 83 1
128 83 84 1
129 99 150 2
130 150 151 1
131 151 152 2
132 152 153 1
133 153 154 2
134 154 99 1
135 46 48 1 #Up
136 152 155 1
137 84 85 1
138 80 156 1
139 29 28 1 #Down
140 156 157 1
141 85 86 1
142 30 49 2
143 80 158 1
144 86 87 1
145 158 159 1
146 158 160 2
147 87 88 1
148 159 161 1
149 32 50 1 #Down
150 23 162 1
151 88 89 1
152 161 163 1
153 163 162 1
154 29 30 1
155 89 90 1 #Up
156 163 164 2
157 33 51 2
158 90 91 1
159 91 92 1
160 36 52 2
161 92 93 1
162 30 31 1
163 93 94 1
164 38 53 1 #Down
165 94 95 1
166 95 96 1
167 53 54 1
168 96 97 1
169 31 32 1
170 82 98 2
171 54 55 1
172 161 165 1 #Down
173 165 166 1
174 166 167 2
175 167 168 1
176 168 169 2
177 169 170 1
178 170 171 2
179 166 171 1
180 156 172 1 #Down
181 21 173 1
182 76 174 1 #Down
183 174 175 2
184 175 176 1
185 176 177 2
186 177 178 1
187 178 179 2
188 174 179 1
189 177 180 1
190 176 181 1
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