HMDB0034128 RDKit 3D Isopropyl nonanoate 38 37 0 0 0 0 0 0 0 0999 V2000 -3.2849 1.6297 -0.8549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2409 0.4640 -0.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4713 -0.7709 -0.3663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9017 -0.4944 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1318 -1.6901 1.4641 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 -2.0632 0.5597 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0056 -0.9307 0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0992 -1.4413 -0.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1355 -0.4098 -0.7615 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3534 0.0851 -1.8900 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 0.0879 0.2675 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9380 1.0548 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5931 2.3898 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3089 0.6674 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3018 1.3964 -1.2849 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7949 2.4316 -1.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1364 2.0293 0.1870 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7843 0.3137 -1.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9836 0.6880 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1725 -1.6146 -0.2980 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6619 -0.9465 -1.1063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7460 -0.3617 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 0.4014 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -1.4513 2.4821 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8449 -2.5235 1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -2.9517 1.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3568 -2.4112 -0.4224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 -0.6351 1.3731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.0985 -0.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5609 -2.3407 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -1.7414 -1.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9357 1.2780 -1.0605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9784 3.0129 -0.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5563 2.9240 0.8196 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 2.2879 1.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9876 0.6664 -0.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7527 1.4188 1.1885 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3622 -0.3506 0.9274 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 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 2 18 1 0 2 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 0 5 25 1 0 6 26 1 0 6 27 1 0 7 28 1 0 7 29 1 0 8 30 1 0 8 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 14 37 1 0 14 38 1 0 M END