HMDB0038604 RDKit 3D Amyl salicylate 31 31 0 0 0 0 0 0 0 0999 V2000 5.2889 -0.4839 0.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -0.3713 -0.0782 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3020 1.0021 0.2306 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8748 1.1550 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9936 0.1586 0.4549 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3536 0.3511 -0.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3840 -0.4717 0.4839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0333 -1.3292 1.3121 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7438 -0.2956 0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9733 0.7148 -0.9050 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2131 0.9911 -1.4199 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2654 0.2244 -0.9797 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1246 -0.7782 -0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8297 -1.0288 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 -2.0286 1.3408 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7157 0.5257 0.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3108 -0.9950 1.3758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8897 -1.0853 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7652 -0.5428 -1.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2278 -1.1064 0.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9456 1.7847 -0.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3731 1.1208 1.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8433 1.0795 -1.3309 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 2.1909 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0667 0.3073 1.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2505 -0.8772 0.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1287 1.3170 -1.2467 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3776 1.7868 -2.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2823 0.4110 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9529 -1.3945 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8762 -2.3324 1.7856 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 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 14 9 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 4 24 1 0 5 25 1 0 5 26 1 0 10 27 1 0 11 28 1 0 12 29 1 0 13 30 1 0 15 31 1 0 M END