HMDB0029818 RDKit 3D Benzyl salicylate 29 30 0 0 0 0 0 0 0 0999 V2000 1.4079 0.6994 2.0610 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1673 0.6385 0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0063 -0.0443 0.4885 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8264 -0.6237 1.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9910 -1.2930 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9617 -2.6281 0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0938 -3.2140 0.0274 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2659 -2.5303 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2822 -1.1799 0.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1570 -0.5894 0.7305 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0441 1.2415 -0.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6684 1.1071 -1.4759 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4532 1.6547 -2.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5857 2.3209 -2.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9980 2.4809 -0.8165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 1.9155 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 2.1006 1.4578 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0985 0.1554 2.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1457 -1.3263 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0463 -3.1802 0.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0576 -4.2568 -0.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1450 -2.9931 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2076 -0.6469 0.0224 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2201 0.4509 0.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7755 0.5840 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 1.5753 -3.5223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2190 2.7616 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9035 3.0161 -0.5781 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2470 1.8035 2.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 2 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 10 5 1 0 16 11 1 0 4 18 1 0 4 19 1 0 6 20 1 0 7 21 1 0 8 22 1 0 9 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 14 27 1 0 15 28 1 0 17 29 1 0 M END