HMDB0034074 RDKit 3D 5-Oxooctadecanoic acid 55 54 0 0 0 0 0 0 0 0999 V2000 7.9075 -1.1665 1.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9244 -1.5639 -0.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 -0.4792 -0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 -0.4023 -0.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 0.6315 -1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6042 0.6844 -0.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9060 -0.6204 -0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5054 -0.5721 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6267 0.4441 -0.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7504 0.4343 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 1.4409 -0.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0057 1.3841 0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6816 0.0399 -0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9956 0.1405 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 1.2068 1.1949 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8715 -1.0518 0.7555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1600 -0.7626 1.4488 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9412 0.2862 0.7031 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2254 -0.2099 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4138 -0.0565 -1.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4208 -0.8529 -0.8996 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7896 -1.5599 1.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9982 -1.5804 1.8327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8397 -0.0640 1.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9608 -1.7268 -0.4513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3024 -2.4944 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2432 -0.6235 -1.9578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7052 0.4826 -0.5760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 -1.4081 -0.5036 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -0.2147 0.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9100 0.4437 -2.1266 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5011 1.6254 -0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0166 1.5489 -0.8013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7048 0.8702 0.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8556 -1.0106 -1.5911 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4371 -1.3910 0.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0882 -1.5868 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6098 -0.3540 1.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0128 1.4683 -0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5242 0.1294 -1.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6078 0.7208 1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1534 -0.5943 -0.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2375 2.4550 -0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7467 1.3488 -1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 1.6966 1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7002 2.1115 -0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0973 -0.7675 0.4472 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9343 -0.2003 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3477 -1.9183 1.2354 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0839 -1.3959 -0.2880 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7629 -1.6891 1.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9172 -0.3551 2.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9067 0.4743 1.2495 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4433 1.2664 0.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7997 -1.6033 -0.3394 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 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 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 2 25 1 0 2 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 4 30 1 0 5 31 1 0 5 32 1 0 6 33 1 0 6 34 1 0 7 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 9 40 1 0 10 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 12 46 1 0 13 47 1 0 13 48 1 0 16 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 21 55 1 0 M END