HMDB0037626 RDKit 3D 1-Ethylhexyl tiglate 39 38 0 0 0 0 0 0 0 0999 V2000 -4.6217 -0.2579 -2.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5935 -1.0676 -0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5423 -1.0260 -0.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5269 -1.8521 1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4232 -0.1718 -0.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3456 0.5495 -1.4529 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2904 -0.1217 0.3956 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1754 0.6986 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0155 1.6595 1.2523 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3060 2.4533 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0102 -0.2314 -0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2878 0.4940 -0.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3837 -0.5630 -0.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 0.0787 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7363 -1.0460 -0.8246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6149 -0.4247 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8460 -0.5219 -2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5915 0.8382 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4617 -1.7014 -0.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7435 -1.1712 1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2147 -2.7095 1.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4662 -2.2027 1.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3933 1.2148 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8203 2.3460 1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 1.1230 2.2150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5438 2.9760 0.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2333 3.2168 2.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1742 1.7818 1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7948 -0.9244 -0.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1350 -0.7353 0.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6024 1.2152 0.4066 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 1.0354 -1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1708 -1.3063 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 -1.1161 0.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0454 0.7830 0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6499 0.5864 -1.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7241 -0.6333 -1.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8742 -1.3854 0.2396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4062 -1.8807 -1.4616 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 3 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 8 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 4 20 1 0 4 21 1 0 4 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 14 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 15 39 1 0 M END