HMDB0253281 RDKit 3D hydroxyoctadecadienoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 6.6035 0.6303 0.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4703 1.4258 0.8129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2441 1.3270 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7247 -0.1110 -0.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5083 0.0028 -1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7784 -1.2347 -1.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2200 -2.0305 -0.2310 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2528 -1.2938 0.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9355 -0.7192 -0.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8817 -1.5981 -0.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6052 -2.6429 0.0397 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4461 -2.2845 1.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5851 -1.3096 1.0669 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3013 -0.0218 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0222 1.2448 0.5826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4317 1.6730 -0.6556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 2.9536 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 3.9025 0.1305 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5638 3.3381 -2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3120 4.5715 -2.2961 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3010 2.3875 -3.0874 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6045 0.9615 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4243 -0.4280 0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6289 0.9067 -0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2937 1.1826 1.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 2.5064 0.7849 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3942 1.9198 0.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 1.6884 -1.0513 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5280 -0.6847 -0.7183 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5506 -0.5725 0.7988 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8839 0.8166 -0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8689 0.4250 -2.0165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4958 -1.9073 -1.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9967 -0.9924 -2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -2.3198 0.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 -2.9891 -0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1045 -2.0393 1.4039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 -0.5100 1.1913 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4964 -0.1647 0.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 0.1254 -0.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6417 -1.0043 -1.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3517 -2.1299 -1.5881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8806 -3.4539 0.3635 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 -3.1852 -0.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7508 -1.8615 1.9822 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9072 -3.2236 1.6029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2820 -1.7136 0.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2787 -1.5608 1.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 0.3979 2.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2036 2.0616 1.3054 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2135 1.0147 -1.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3226 4.4378 0.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3404 2.0855 -3.2625 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 3 15 16 1 0 16 17 2 3 17 18 1 0 17 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 14 49 1 0 15 50 1 0 16 51 1 0 18 52 1 0 21 53 1 0 M END