HMDB0297066 RDKit 3D DG(20:3(5Z,11Z,14Z)-O(8,9)/0:0/8:0) 89 89 0 0 0 0 0 0 0 0999 V2000 13.1149 -0.4236 1.5273 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 -0.0998 0.7132 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6422 -0.1399 1.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3511 0.2322 0.9995 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7333 -0.5035 -0.1195 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3715 -0.5738 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8109 -0.0582 -2.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5019 0.6338 -2.5280 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5416 -0.0093 -3.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3730 -0.4991 -3.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8662 -0.4474 -1.7397 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5746 0.3425 -1.7336 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5193 -0.1780 -2.5315 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 -0.2257 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4673 0.8097 -0.4513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2967 1.3758 0.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9911 1.2846 1.9192 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8005 0.6272 2.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0578 1.6589 3.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 1.0756 3.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1472 0.6282 2.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1911 1.3766 2.8535 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0908 -0.4901 2.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1557 -0.8812 1.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 -1.3017 2.0960 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9389 -0.3871 2.9190 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3588 -2.1424 1.3882 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3075 -1.4720 0.6702 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1911 -0.7622 -0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1184 -0.6260 -1.0609 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4100 -0.0879 -1.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0574 -1.0726 -1.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2800 -0.4851 -2.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3135 -0.1011 -1.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5487 0.4950 -2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5235 0.8496 -1.1667 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8872 -0.3906 -0.3938 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9102 -0.4538 0.7365 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9433 -1.3865 2.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2234 0.4346 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8044 -0.9542 0.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9791 0.8816 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8444 0.5724 2.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5848 -1.1463 2.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6032 0.2192 1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3901 1.3526 0.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6554 -0.2188 -0.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6372 -1.6055 0.2573 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3525 -1.0977 -1.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 -0.1719 -3.4467 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1260 0.9847 -1.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7459 1.6333 -3.0710 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8376 -0.0911 -4.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7285 -0.9688 -3.9038 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6288 -1.5030 -1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5475 -0.0539 -0.9976 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 1.4215 -1.7766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3164 -1.2330 -0.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3248 1.6285 -1.2110 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5038 0.4193 -0.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2233 1.9051 0.3923 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6736 1.7376 2.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1010 0.1932 1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0907 -0.1799 3.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1986 2.4835 2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7585 2.0862 4.0771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8528 0.2172 4.6585 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5959 1.8159 4.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3507 0.0321 0.6698 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7170 -1.6583 0.6746 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8519 -2.0367 2.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8678 -0.1588 2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9169 -2.6914 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8487 -2.9513 0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0855 0.8247 -1.5758 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0861 0.2267 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3402 -2.0107 -1.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2976 -1.3107 -2.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6923 -1.2444 -3.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9548 0.4197 -3.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9044 0.6813 -0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6724 -0.9286 -0.9681 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9520 -0.2300 -2.9916 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1947 1.4240 -2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9814 1.5773 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4196 1.3175 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8399 -1.3087 -1.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9425 -0.3292 0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2572 -0.4967 0.5302 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 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 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 14 12 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 3 44 1 0 4 45 1 0 4 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 7 50 1 0 8 51 1 0 8 52 1 0 9 53 1 0 10 54 1 0 11 55 1 0 11 56 1 0 12 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 18 63 1 0 18 64 1 0 19 65 1 0 19 66 1 0 20 67 1 0 20 68 1 0 24 69 1 0 24 70 1 0 25 71 1 1 26 72 1 0 27 73 1 0 27 74 1 0 31 75 1 0 31 76 1 0 32 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 37 89 1 0 M END