HMDB0112166 RDKit 3D FAHFA(18:1(9Z)/11-O-16:0) 102101 0 0 0 0 0 0 0 0999 V2000 8.9075 4.7501 1.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1026 4.1947 0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4571 2.7747 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2617 1.8258 1.1402 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5732 0.4244 0.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9506 -0.3820 -0.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5430 -0.7307 -0.2581 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4183 0.1414 -0.5444 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 1.2851 0.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8855 1.3414 0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8658 0.2895 0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5731 0.8598 0.3899 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5257 1.4186 -0.9543 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8449 0.6631 -2.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0922 -0.5633 -2.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2762 -1.6734 -1.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4996 -2.9258 -1.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 -2.6636 -2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -2.2314 -3.0946 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7394 -2.9039 -0.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2041 -2.6589 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7678 -4.0102 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2412 -4.1979 -0.7542 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6008 -5.6933 -0.6516 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0526 -6.3368 0.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5065 -7.8054 0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4048 -1.5987 0.0180 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7432 -1.0205 0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6866 0.0698 1.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0428 0.6469 1.5408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7207 1.2806 0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2403 2.4630 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1242 3.7549 0.4202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0950 3.8862 1.4808 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6894 3.7529 0.8852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 4.8868 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 4.7411 -1.2947 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9838 6.0844 0.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8896 4.2814 1.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0970 5.8492 1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3119 4.7292 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0008 4.3015 0.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3064 4.8384 -0.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5132 2.8027 -0.3574 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7639 2.4655 -0.8255 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1110 2.1672 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 1.9775 1.7476 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7146 0.2546 0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3634 -0.1303 1.8606 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3318 -0.0596 -1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5240 -1.4059 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3194 -1.3545 0.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4182 -1.6184 -1.0260 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6625 0.6019 -1.6014 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -0.4667 -0.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6804 2.2029 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6602 2.2382 1.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1211 -0.6556 0.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 0.0840 2.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 0.2900 0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4538 1.8091 1.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1786 2.3809 -0.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4883 1.9056 -1.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9448 0.4630 -2.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6682 1.4191 -3.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.3237 -2.5993 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4283 -0.8409 -3.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3610 -1.9957 -1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0607 -1.3966 -0.5549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8824 -3.3095 -2.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7322 -3.6895 -1.2005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4436 -2.2896 -1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 -4.6672 -1.6456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2882 -4.5434 0.1025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7967 -3.8082 -1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6203 -3.7962 0.2389 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1706 -6.1747 -1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7082 -5.7305 -0.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9431 -6.3991 0.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3638 -5.8858 1.5217 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1930 -8.3540 1.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0025 -8.2547 -0.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6030 -7.8318 0.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0490 -1.9718 1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6301 -0.7926 -0.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0011 -0.4308 -0.6997 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5870 -1.6476 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4004 -0.4233 2.2992 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 0.7846 1.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0636 1.1920 2.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7046 -0.2873 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7732 1.5649 0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0212 0.4697 -0.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2288 2.2936 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8979 2.6484 -1.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9433 4.6029 -0.3134 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1163 3.9885 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2325 3.2630 2.3725 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1685 4.9473 1.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9475 3.8222 1.6833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 2.8469 0.2882 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5529 6.9108 0.5497 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 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 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 21 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 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 2 0 36 38 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 3 45 1 0 4 46 1 0 4 47 1 0 5 48 1 0 5 49 1 0 6 50 1 0 6 51 1 0 7 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 12 61 1 0 13 62 1 0 13 63 1 0 14 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 16 69 1 0 17 70 1 0 17 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 23 75 1 0 23 76 1 0 24 77 1 0 24 78 1 0 25 79 1 0 25 80 1 0 26 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 38102 1 0 M END