HMDB0038258 RDKit 3D Neryl propionate 37 36 0 0 0 0 0 0 0 0999 V2000 4.2940 2.7721 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 1.6042 -0.5857 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5309 0.4917 0.3437 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 0.2482 1.3002 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3948 -0.2382 0.2074 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0438 -1.2682 1.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7597 -1.9211 0.8506 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -1.6099 -0.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 -2.4473 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0154 -0.6008 -1.1143 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0226 0.5039 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4155 0.0344 -1.1390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2916 0.2460 -0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6966 -0.2103 -0.2260 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8653 0.9868 1.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3428 3.2765 0.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8272 3.5124 -0.2558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 2.3341 1.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8531 1.2526 -1.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1175 1.8528 -1.2912 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8308 -2.0771 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2411 -1.0231 2.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5141 -2.7560 1.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0796 -3.5133 0.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9121 -2.4282 -1.0215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0285 -2.1678 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9591 -0.1332 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 -1.1768 -2.1005 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8432 0.9872 -0.0331 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8169 1.2634 -1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7317 -0.4861 -2.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7760 -1.2860 -0.5052 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1933 -0.1058 0.7621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2148 0.4501 -0.9630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7360 1.2209 1.7131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4448 1.9710 0.7041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0570 0.4410 1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 6 21 1 0 6 22 1 0 7 23 1 0 9 24 1 0 9 25 1 0 9 26 1 0 10 27 1 0 10 28 1 0 11 29 1 0 11 30 1 0 12 31 1 0 14 32 1 0 14 33 1 0 14 34 1 0 15 35 1 0 15 36 1 0 15 37 1 0 M END