HMDB0031264 RDKit 3D Methyl nonanoate 32 31 0 0 0 0 0 0 0 0999 V2000 -4.3631 0.3603 -1.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2864 -0.5247 0.1422 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9696 -1.2122 0.2872 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8102 -0.2434 0.4090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5748 -1.0728 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -0.2790 0.6798 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9483 0.6067 -0.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2073 1.3841 -0.3556 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4317 0.5775 -0.2657 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 -0.6644 -0.3823 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6665 1.1676 -0.0464 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8630 0.4328 0.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6177 1.3990 -0.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2116 0.0935 -1.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4531 0.3631 -1.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0526 -1.3405 -0.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5890 0.0047 1.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -1.9559 -0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 -1.7827 1.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7382 0.2969 -0.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9720 0.4646 1.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4785 -1.6920 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6649 -1.7059 1.4482 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5095 -1.0326 0.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7470 0.2975 1.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0714 1.2603 -0.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0792 -0.0009 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1680 1.9975 0.5831 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3131 2.1411 -1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4462 0.5503 -0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4212 0.7611 0.9355 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5750 -0.6516 0.1457 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 1 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 2 17 1 0 3 18 1 0 3 19 1 0 4 20 1 0 4 21 1 0 5 22 1 0 5 23 1 0 6 24 1 0 6 25 1 0 7 26 1 0 7 27 1 0 8 28 1 0 8 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 M END