HMDB0035019 RDKit 3D Phenethyl salicylate 32 33 0 0 0 0 0 0 0 0999 V2000 -0.8673 1.3284 0.7646 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4687 0.2935 0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6737 -0.7488 -0.0385 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 -0.7846 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3930 0.3045 -0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8654 0.1187 -0.5522 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5033 0.7795 0.4884 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8410 0.5736 0.6432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -0.2577 -0.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8853 -0.8942 -1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5275 -0.7221 -1.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9160 0.2937 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6207 1.4346 0.5837 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9755 1.4923 0.4967 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7171 0.4360 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0470 -0.6882 -0.3685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6365 -0.7617 -0.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0615 -1.9370 -0.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1068 -0.7784 1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0700 -1.7539 -0.3902 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1435 1.3108 -0.4360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1686 0.1467 -1.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8957 1.4236 1.1192 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3308 1.0984 1.4643 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6258 -0.3860 -0.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4360 -1.5497 -1.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -1.2443 -2.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0593 2.2742 0.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5431 2.3827 0.8018 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8078 0.5204 -0.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5996 -1.5536 -0.7544 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1156 -2.1513 -0.7079 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 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 2 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 11 6 1 0 17 12 1 0 4 19 1 0 4 20 1 0 5 21 1 0 5 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 11 27 1 0 13 28 1 0 14 29 1 0 15 30 1 0 16 31 1 0 18 32 1 0 M END