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RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
5.7538 0.7271 -0.3387 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4210 0.4446 -0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6399 1.2963 0.6679 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4437 0.8217 1.1321 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0298 -0.4849 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5992 -0.7346 1.1144 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2000 -1.1075 0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5640 -0.5698 0.0372 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6691 -1.4101 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9223 -0.8567 -0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0704 -1.5823 -0.3863 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0464 0.4687 0.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9831 1.3313 0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1123 2.6366 0.5408 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7777 0.7687 -0.2745 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6454 -1.1284 -0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8126 -0.6206 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
10 12 2 0
12 13 1 0
13 14 1 0
13 15 2 0
5 16 1 0
16 17 2 0
17 2 1 0
15 8 1 0
M END
> <zinc_id> (1)
ZINC000000006787
> <smiles> (1)
Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
$$$$
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