HMDB0062287 RDKit 3D 12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid 55 54 0 0 0 0 0 0 0 0999 V2000 8.7535 -0.2451 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1674 0.6903 -0.8285 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7327 0.4687 -1.1070 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 0.6078 0.2085 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4597 0.5619 -0.0647 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -0.5769 -0.7762 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0437 -1.3948 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4325 -1.2567 0.9943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9275 -0.9084 0.8235 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2961 -1.8120 0.0962 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8041 0.5120 0.4924 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2668 1.1959 0.2404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 0.6096 0.2518 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5957 1.3147 0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7188 2.0896 -0.1538 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9570 1.2283 -0.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7728 -0.0335 -0.6537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9446 -0.9582 -0.9736 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2556 -0.2391 -0.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4906 0.0512 0.5843 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7056 0.8314 0.8492 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4688 1.3020 -0.0492 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0329 1.0552 2.1900 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 -0.4137 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6758 0.2964 0.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0864 -1.2013 -0.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7363 0.5255 -1.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2974 1.7529 -0.4601 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5651 -0.5693 -1.4906 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3356 1.1885 -1.8534 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1769 -0.1932 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1478 1.6579 0.6004 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2355 1.4769 -0.7121 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0199 0.7931 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 -0.7939 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6818 -2.2538 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3699 -2.2995 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9381 -0.6507 1.7497 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4968 -0.9861 1.8872 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 -1.9231 -0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 1.0954 0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1663 2.2511 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5604 -0.4995 0.4375 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3599 0.3817 0.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6517 2.7850 -1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9874 2.8002 0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8718 1.7655 -0.5477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7942 -0.4998 -0.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7633 -1.4710 -1.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8590 -1.7867 -0.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0459 -0.9153 -1.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2633 0.6903 -1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6688 -0.9903 1.0302 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6196 0.4311 1.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8362 0.3679 2.9183 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 2 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 3 12 13 1 0 13 14 2 3 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 1 24 1 0 1 25 1 0 1 26 1 0 2 27 1 0 2 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 4 32 1 0 5 33 1 0 5 34 1 0 6 35 1 0 7 36 1 0 8 37 1 0 8 38 1 0 9 39 1 1 10 40 1 0 11 41 1 0 12 42 1 0 13 43 1 0 14 44 1 0 15 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 23 55 1 0 M END