Mrv1652307282022262D
139149 0 0 1 0 999 V2000
-3.8159 -2.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3404 -2.5281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2822 -0.5225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2292 4.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3967 -2.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6569 4.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.4237 2.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6988 -1.7112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2953 0.4339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2359 1.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7805 -2.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7098 -0.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0137 -0.9040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6745 0.3629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0314 2.0726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3353 1.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2214 -1.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3739 -1.0637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8837 0.1779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0244 0.4616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5861 -0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0374 -1.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2469 0.3017 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-4.2646 3.2784 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.5180 -1.8040 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-3.0490 -1.7283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.5798 -0.2648 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.5505 -1.1147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.0816 -0.8721 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
1.2475 -0.3473 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.4315 -0.2260 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.8546 -0.5838 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.8192 0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9961 2.8969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.9430 0.7444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6214 -1.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6038 2.0114 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.5154 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2853 -1.5011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.4067 -0.6851 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
4.7606 -0.1720 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
3.9932 -0.4749 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-5.6922 3.3396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9253 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4800 1.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9314 -2.0142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1740 -0.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8819 0.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5684 2.8357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8719 -1.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3529 -2.1710 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3472 0.0381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9076 1.5687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.6637 -2.9707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1974 -0.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2504 4.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.8763 -2.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8227 4.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0559 2.9215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.1783 -1.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.7749 0.3973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.7155 1.1205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6991 -2.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7698 -0.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4659 -0.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8051 0.3263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.5170 -1.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.7010 -1.6761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4482 2.0360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1443 1.5933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.8535 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.3633 0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.4552 0.4249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8935 -1.0019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2327 0.2651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
11.2150 3.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.9976 -1.8407 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
17.0301 -1.1513 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
12.4306 -1.7649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
18.0594 -0.3015 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.3980 -0.9087 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
16.7271 -0.3840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.9111 -0.2627 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
14.6250 -0.6204 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
14.6604 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4835 2.8602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
12.5366 0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8582 -1.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8758 1.9748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
13.9642 0.6466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7649 -1.5377 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
20.8862 -0.7217 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
20.2402 -0.2086 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
19.4728 -0.5116 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
9.7874 3.3030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.5543 -2.2689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9996 1.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.4110 -2.0508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.6536 -0.4187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.3615 0.6074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.9112 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.3515 -1.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.1267 -2.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.8268 0.0015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5719 1.5320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5507 -0.1410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5331 3.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1640 -2.3171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7452 -1.2855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6583 0.5564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7344 -0.9934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6594 -1.4610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0264 0.4475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3928 -0.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2027 -1.3317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.9607 3.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2115 1.1260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6391 1.1872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0527 -1.1981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6393 -0.9880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5280 0.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1146 0.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.9289 -0.1777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9465 3.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.6436 -2.3538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.2140 -1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7344 -1.3222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
18.1379 0.5198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.8202 -1.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
16.5060 0.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
15.0868 -0.2273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2769 -1.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5189 3.6845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.2681 1.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8405 1.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.5323 -1.2348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
20.1189 -1.0247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
21.0076 0.0943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
19.5942 0.3045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11 1 1 0 0 0 0
13 12 1 0 0 0 0
14 12 1 0 0 0 0
16 15 1 0 0 0 0
22 2 1 0 0 0 0
22 17 2 0 0 0 0
23 3 1 6 0 0 0
24 4 1 1 0 0 0
25 5 1 6 0 0 0
26 11 1 1 0 0 0
26 13 1 0 0 0 0
27 18 1 0 0 0 0
27 19 1 0 0 0 0
28 18 1 0 0 0 0
28 22 1 0 0 0 0
29 17 1 0 0 0 0
30 19 1 0 0 0 0
30 28 1 0 0 0 0
31 20 1 0 0 0 0
31 29 1 0 0 0 0
31 30 1 0 0 0 0
32 21 1 0 0 0 0
32 29 1 0 0 0 0
33 20 2 0 0 0 0
33 32 1 0 0 0 0
34 15 1 0 0 0 0
34 24 1 0 0 0 0
35 14 1 0 0 0 0
35 23 1 0 0 0 0
36 21 1 0 0 0 0
37 16 1 0 0 0 0
38 23 1 0 0 0 0
38 33 1 0 0 0 0
39 25 1 0 0 0 0
40 39 1 0 0 0 0
41 40 1 0 0 0 0
42 41 1 0 0 0 0
43 6 1 0 0 0 0
43 7 1 0 0 0 0
34 43 1 6 0 0 0
44 36 2 0 0 0 0
45 38 2 0 0 0 0
46 8 1 0 0 0 0
39 46 1 1 0 0 0
47 9 1 0 0 0 0
40 47 1 1 0 0 0
48 10 1 0 0 0 0
41 48 1 6 0 0 0
49 24 1 0 0 0 0
49 37 1 0 0 0 0
50 25 1 0 0 0 0
50 42 1 0 0 0 0
51 26 1 0 0 0 0
51 36 1 0 0 0 0
27 52 1 6 0 0 0
42 52 1 1 0 0 0
53 35 1 0 0 0 0
37 53 1 1 0 0 0
63 54 1 0 0 0 0
65 64 1 0 0 0 0
66 64 1 0 0 0 0
68 67 2 0 0 0 0
70 69 1 0 0 0 0
75 55 1 6 0 0 0
76 56 1 1 0 0 0
77 57 1 6 0 0 0
78 67 1 0 0 0 0
78 71 1 0 0 0 0
79 63 1 1 0 0 0
79 65 1 0 0 0 0
80 71 1 0 0 0 0
80 72 1 0 0 0 0
81 68 1 0 0 0 0
82 72 1 0 0 0 0
82 78 1 0 0 0 0
83 73 1 0 0 0 0
83 81 1 0 0 0 0
83 82 1 0 0 0 0
84 74 1 0 0 0 0
84 81 1 0 0 0 0
85 73 2 0 0 0 0
85 84 1 0 0 0 0
86 69 1 0 0 0 0
86 76 1 0 0 0 0
87 66 1 0 0 0 0
87 75 1 0 0 0 0
88 74 1 0 0 0 0
89 70 1 0 0 0 0
90 75 1 0 0 0 0
90 85 1 0 0 0 0
91 77 1 0 0 0 0
92 91 1 0 0 0 0
93 92 1 0 0 0 0
94 93 1 0 0 0 0
95 58 1 0 0 0 0
95 59 1 0 0 0 0
86 95 1 6 0 0 0
96 88 2 0 0 0 0
97 90 2 0 0 0 0
98 60 1 0 0 0 0
91 98 1 1 0 0 0
99 61 1 0 0 0 0
92 99 1 1 0 0 0
100 62 1 0 0 0 0
93100 1 6 0 0 0
101 76 1 0 0 0 0
101 89 1 0 0 0 0
102 77 1 0 0 0 0
102 94 1 0 0 0 0
103 79 1 0 0 0 0
103 88 1 0 0 0 0
80104 1 6 0 0 0
94104 1 1 0 0 0
105 87 1 0 0 0 0
89105 1 1 0 0 0
23106 1 1 0 0 0
24107 1 6 0 0 0
25108 1 1 0 0 0
26109 1 6 0 0 0
27110 1 1 0 0 0
28111 1 6 0 0 0
29112 1 6 0 0 0
30113 1 1 0 0 0
31114 1 6 0 0 0
32115 1 1 0 0 0
34116 1 1 0 0 0
117 35 1 0 0 0 0
37118 1 6 0 0 0
39119 1 6 0 0 0
40120 1 1 0 0 0
41121 1 1 0 0 0
42122 1 6 0 0 0
75123 1 1 0 0 0
76124 1 6 0 0 0
77125 1 1 0 0 0
78126 1 6 0 0 0
79127 1 6 0 0 0
80128 1 1 0 0 0
81129 1 6 0 0 0
82130 1 1 0 0 0
83131 1 6 0 0 0
84132 1 1 0 0 0
86133 1 1 0 0 0
134 87 1 0 0 0 0
89135 1 6 0 0 0
91136 1 6 0 0 0
92137 1 1 0 0 0
93138 1 1 0 0 0
94139 1 6 0 0 0
M END
> <DATABASE_ID>
CDB006306
> <DATABASE_NAME>
CDB
> <SMILES>
[H][C@]1(C[C@@]2([H])C=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCCC([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC.[H][C@]1(C[C@@]2([H])C(C)=C[C@@]3([H])[C@]4([H])CC(=O)O[C@@]([H])(CC)CCCC([H])(O[C@@]5([H])CC[C@]([H])(N(C)C)[C@@]([H])(C)O5)[C@@]([H])(C)C(=O)C4=C[C@@]3([H])[C@]2([H])C1)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(OC)[C@@]([H])(OC)[C@@]1([H])OC
> <INCHI_IDENTIFIER>
InChI=1S/C42H67NO10.C41H65NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42;1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3;14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35?,37+,39+,40-,41-,42+;22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34?,36+,38+,39-,40-,41+/m11/s1
> <INCHI_KEY>
JFLRKDZMHNBDQS-GQHNJWLYSA-N
> <FORMULA>
C83H132N2O20
> <MOLECULAR_WEIGHT>
1477.963
> <EXACT_MASS>
1476.937344658
> <JCHEM_ACCEPTOR_COUNT>
10
> <JCHEM_ATOM_COUNT>
237
> <JCHEM_AVERAGE_POLARIZABILITY>
86.52086702741073
> <JCHEM_BIOAVAILABILITY>
0
> <JCHEM_DONOR_COUNT>
0
> <JCHEM_FORMAL_CHARGE>
0
> <JCHEM_GHOSE_FILTER>
0
> <JCHEM_IUPAC>
(2R,3aS,5aR,5bS,9S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione; (2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-4,14-dimethyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,7H,9H,10H,11H,12H,13H,14H,15H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
> <ALOGPS_LOGP>
4.25
> <JCHEM_LOGP>
5.843439882333334
> <ALOGPS_LOGS>
-5.49
> <JCHEM_MDDR_LIKE_RULE>
1
> <JCHEM_NUMBER_OF_RINGS>
12
> <JCHEM_PHYSIOLOGICAL_CHARGE>
1
> <JCHEM_PKA_STRONGEST_ACIDIC>
19.448197095479344
> <JCHEM_PKA_STRONGEST_BASIC>
8.561483449594133
> <JCHEM_POLAR_SURFACE_AREA>
111.22000000000003
> <JCHEM_REFRACTIVITY>
201.86320000000003
> <JCHEM_ROTATABLE_BOND_COUNT>
18
> <JCHEM_RULE_OF_FIVE>
0
> <ALOGPS_SOLUBILITY>
2.40e-03 g/l
> <JCHEM_TRADITIONAL_IUPAC>
(2R,3aS,5aR,5bS,9S,14R,16aS,16bR)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-14-methyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,9H,10H,11H,12H,13H,14H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione; (2S,3aR,5aS,5bS,9S,14R,16aS,16bS)-13-{[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]oxy}-9-ethyl-4,14-dimethyl-2-{[(2R,3R,4R,5S,6S)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}-1H,2H,3H,3aH,5aH,5bH,6H,9H,10H,11H,12H,13H,14H,16aH,16bH-as-indaceno[3,2-d]oxacyclododecane-7,15-dione
> <JCHEM_VEBER_RULE>
0
> <Cannabis Database ID>
CDB006306
> <GENERIC_NAME>
Spinosad
$$$$