 | | COMPOUND: C21479 | |
| Entry |
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| Name |
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| Formula |
C23H21ClN2O5
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| Exact mass |
440.1139
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| Mol weight |
440.8762
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| Structure |
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| Pathway |
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| Other DBs |
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| KCF data |
ATOM 31
1 C8x C 12.8886 -15.2721
2 C8x C 12.8886 -16.6733
3 C8x C 14.1020 -17.3739
4 C8y C 15.3155 -16.6733
5 C8y C 15.3155 -15.2721
6 C8x C 14.1020 -14.5715
7 N4x N 16.6481 -17.1062
8 C8y C 17.4717 -15.9727
9 C8y C 16.6481 -14.8392
10 C1y C 18.8652 -15.8263
11 N1y N 19.4351 -14.5462
12 C1y C 18.6115 -13.4127
13 C1x C 17.2180 -13.5591
14 C8y C 19.6842 -16.9536
15 C8x C 19.1142 -18.2335
16 C8x C 19.9377 -19.3671
17 C8y C 21.3311 -19.2207
18 C8x C 21.9011 -17.9409
19 C8x C 21.0776 -16.8073
20 C7a C 22.1541 -20.3536
21 O7a O 23.5264 -20.2099
22 O6a O 21.5689 -21.6675
23 C1a C 24.4074 -21.4666
24 C5a C 20.7951 -14.4038
25 O5a O 21.6350 -15.5605
26 C1b C 21.3571 -13.1435
27 X Cl 22.7561 -12.9971
28 C7a C 19.1968 -12.0976
29 O7a O 20.5849 -11.9516
30 O6a O 18.3824 -10.9772
31 C1a C 21.1801 -10.7062
BOND 34
1 1 2 1
2 2 3 2
3 3 4 1
4 4 5 2
5 5 6 1
6 1 6 2
7 4 7 1
8 7 8 1
9 8 9 2
10 5 9 1
11 8 10 1
12 10 11 1
13 11 12 1
14 12 13 1
15 9 13 1
16 10 14 1
17 14 15 2
18 15 16 1
19 16 17 2
20 17 18 1
21 18 19 2
22 14 19 1
23 17 20 1
24 20 21 1
25 20 22 2
26 21 23 1
27 11 24 1
28 24 25 2
29 24 26 1
30 26 27 1
31 12 28 1
32 28 29 1
33 28 30 2
34 29 31 1
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