HTS1610-02860561
53 57 0 0 0 0 0 0 0 0999 V2000
-5.2248 0.2194 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.3431 -0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3431 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9164 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9164 0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6175 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3184 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9807 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.7248 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-11.2248 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3729 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6175 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8066 -2.4206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8066 2.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-9.7248 0.2194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2796 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0740 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3184 0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9807 -2.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.9748 1.5185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6720 -0.5306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-7.4748 -1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4748 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9748 -1.0795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.9748 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1769 1.7194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7749 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0740 0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2796 0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 -1.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4758 0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8778 0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3729 -2.7806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-11.9748 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7749 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4758 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8778 -0.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 1.7194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6176 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2012 1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1747 -1.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-7.1748 2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2748 -1.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-9.2748 2.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7749 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5936 1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7600 1.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 -1.8806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7749 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9562 -0.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3974 -0.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5787 2.3194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 0 0 0 0
1 9 1 0 0 0 0
2 4 1 0 0 0 0
2 13 2 0 0 0 0
3 5 1 0 0 0 0
3 14 2 0 0 0 0
4 5 1 0 0 0 0
4 6 2 0 0 0 0
5 12 2 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
7 18 2 0 0 0 0
8 16 1 0 0 0 0
8 19 2 0 0 0 0
9 22 1 0 0 0 0
9 23 2 0 0 0 0
10 15 1 0 0 0 0
10 20 2 0 0 0 0
10 34 1 0 0 0 0
11 17 1 0 0 0 0
11 21 2 0 0 0 0
11 33 1 0 0 0 0
12 18 1 0 0 0 0
15 24 1 0 0 0 0
15 25 2 0 0 0 0
16 29 2 0 0 0 0
16 30 1 0 0 0 0
17 27 2 0 0 0 0
17 28 1 0 0 0 0
22 24 2 0 0 0 0
23 25 1 0 0 0 0
26 31 1 0 0 0 0
26 32 1 0 0 0 0
27 36 1 0 0 0 0
28 35 2 0 0 0 0
29 38 1 0 0 0 0
30 37 2 0 0 0 0
31 35 1 0 0 0 0
31 36 2 0 0 0 0
32 37 1 0 0 0 0
32 38 2 0 0 0 0
6 39 1 0 0 0 0
12 40 1 0 0 0 0
18 41 1 0 0 0 0
22 42 1 0 0 0 0
23 43 1 0 0 0 0
24 44 1 0 0 0 0
25 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
29 48 1 0 0 0 0
30 49 1 0 0 0 0
35 50 1 0 0 0 0
36 51 1 0 0 0 0
37 52 1 0 0 0 0
38 53 1 0 0 0 0
M END
>
HTS1610-02860561-01
>
Namiki1610
>
NS-013229681-0000
>
C29H15NO8
>
505.438
>
-2
>
0
>
8
>
-4.0928
>
1.3019
>
0
>
-9.0368
>
3.5256
>
OC(c1ccc(Oc2ccc(C(c4ccc5C(N(c3ccc(cc3)C(=O)O)C(c5c4)=O)=O)=O)cc2)cc1)=O
>
KSH2016-02230489
>
ZINC00864616
$$$$