HMDB0029817 RDKit 3D Ethyl salicylate 22 22 0 0 0 0 0 0 0 0999 V2000 -3.7288 0.7159 -0.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8395 -0.4520 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5100 0.0297 -0.0143 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4268 -0.8246 0.2603 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7416 -2.0016 0.5153 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8999 -0.2583 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 1.0733 -0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2774 1.6882 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4011 0.9359 0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2642 -0.3907 0.4099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -1.0134 0.4708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9897 -2.3539 0.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7802 0.3907 -0.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5261 1.0413 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5289 1.5843 0.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -1.1806 -0.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1085 -0.9543 0.9375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1641 1.7114 -0.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3336 2.7443 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3622 1.4443 0.0537 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1657 -0.9703 0.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -2.9594 0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 11 6 1 0 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 7 18 1 0 8 19 1 0 9 20 1 0 10 21 1 0 12 22 1 0 M END