HMDB0030433 RDKit 3D Linalyl anthranilate 43 43 0 0 0 0 0 0 0 0999 V2000 0.5181 -2.4635 0.4388 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5838 -1.2502 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2720 -0.0090 0.6638 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2832 -0.3542 2.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2177 1.1223 0.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6488 0.9040 0.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3176 -0.1867 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 0.0654 -0.8992 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8250 1.4647 -1.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0666 -1.0108 -1.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9829 0.4396 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1720 -0.2575 0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1247 -1.4085 0.7353 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4235 0.3023 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5396 1.5506 -0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7522 2.0332 -1.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8782 1.2472 -1.2339 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7748 -0.0057 -0.6718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 -0.4720 -0.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4647 -1.7655 0.3742 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 -2.5699 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7462 -3.3347 -0.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 -1.1151 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3394 0.5945 2.7339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6037 -0.9540 2.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1698 -0.9763 2.3284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8787 1.9919 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0820 1.4236 -0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 1.8664 0.3285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 0.8783 1.7401 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 -1.2074 0.0107 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6908 1.5066 -1.7707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1532 1.9268 -0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9924 2.0147 -1.5731 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4706 -1.9355 -1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0418 -1.1643 -1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2906 -0.5956 -2.6616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6599 2.1725 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7968 3.0283 -1.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8236 1.6484 -1.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6778 -0.6075 -0.6114 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5579 -2.5738 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3201 -1.9636 1.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 3 8 9 1 0 8 10 1 0 3 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 19 14 1 0 1 21 1 0 1 22 1 0 2 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 9 32 1 0 9 33 1 0 9 34 1 0 10 35 1 0 10 36 1 0 10 37 1 0 15 38 1 0 16 39 1 0 17 40 1 0 18 41 1 0 20 42 1 0 20 43 1 0 M END