HMDB0031072 RDKit 3D 12-Methyltridecanoic acid 44 43 0 0 0 0 0 0 0 0999 V2000 -6.1626 0.7400 0.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0515 0.0168 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4390 -1.4420 1.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7419 0.1025 0.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2714 1.5083 -0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9717 1.4940 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8730 0.7430 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4144 0.7713 -0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5063 -0.0007 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7938 0.0038 -1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8315 -0.7865 -0.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1257 -0.7907 -0.9868 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2384 -1.5425 -0.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5744 -0.9395 0.9811 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3485 -1.5436 1.7424 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0610 0.2642 1.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1108 0.2015 0.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2947 1.7862 0.5538 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9952 0.6712 -0.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8937 0.4228 1.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0797 -1.5204 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0857 -1.6787 0.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5571 -2.1112 1.0836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9857 -0.4247 0.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7628 -0.4125 -0.8202 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0398 2.1153 -0.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0992 1.9942 0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1614 1.0698 -1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6881 2.5601 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1604 -0.3272 -0.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6654 1.1856 0.8548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7652 1.8201 -1.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 0.3865 -1.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1897 -1.0552 -0.1053 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6234 0.4547 0.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6158 -0.5578 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2103 0.9979 -1.1768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4841 -1.8470 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9872 -0.4230 0.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4644 0.2699 -1.1602 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 -1.2242 -2.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9919 -2.6237 -0.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1456 -1.4784 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4631 1.1500 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 2 20 1 0 3 21 1 0 3 22 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 0 6 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 9 34 1 0 9 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 12 40 1 0 12 41 1 0 13 42 1 0 13 43 1 0 16 44 1 0 M END