HMDB0257623 RDKit 3D 18-Hydroxyeicosapentaenoic acid 53 52 0 0 0 0 0 0 0 0999 V2000 -7.1085 -1.2558 1.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8619 -0.4722 1.8842 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0700 0.9501 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1625 1.4552 2.2274 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9001 1.8641 1.7300 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6768 1.3987 0.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9759 1.2858 -0.4984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7940 0.8198 -1.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2536 -0.4811 -0.8195 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 -0.9971 -1.6960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0903 -0.0484 -1.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1650 -0.1361 -1.5544 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6796 -1.2833 -0.8452 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9568 -1.3887 -0.5069 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9046 -0.3638 -0.8413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1636 -0.4699 -0.4908 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7226 -1.5561 0.2388 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0611 -1.5553 0.5131 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8104 -0.4765 0.0453 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4825 0.4910 -0.3742 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8880 0.8069 -0.2776 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6726 0.0302 0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.9602 -0.8159 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8428 -2.1506 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8311 -0.6091 0.9667 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5719 -1.5979 2.4746 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9988 -0.9448 1.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6699 -0.6355 2.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4142 0.9763 0.4359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7176 0.6942 2.5235 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1606 2.8660 1.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6327 1.9600 2.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3177 0.4500 1.4152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8820 2.1481 1.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3399 2.2783 -0.8466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8032 0.5746 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1314 0.7515 -2.3819 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9702 1.5774 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0677 -1.2402 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8926 -0.3000 0.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6439 -1.2024 -2.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8118 -1.9994 -1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3845 0.8909 -2.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8157 0.6796 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0022 -2.1118 -0.5569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2537 -2.2906 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 0.5224 -1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8081 0.3546 -0.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1746 -2.3991 0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3748 -2.4123 1.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 -1.0641 0.5272 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9014 1.2980 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3232 2.0834 -1.8340 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 3 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 2 3 12 13 1 0 13 14 2 3 14 15 1 0 15 16 2 3 16 17 1 0 17 18 2 3 18 19 1 0 19 20 2 3 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 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 12 44 1 0 13 45 1 0 14 46 1 0 15 47 1 0 16 48 1 0 17 49 1 0 18 50 1 0 19 51 1 0 20 52 1 0 23 53 1 0 M END