HMDB0113235 RDKit 3D PE-NMe(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) 132131 0 0 0 0 0 0 0 0999 V2000 -12.2437 -1.3480 2.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6117 -0.6320 1.2505 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3304 -0.0600 1.6392 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0556 1.1956 1.6103 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0846 2.2122 1.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2858 3.1480 2.2691 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1000 4.4012 2.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6566 5.2705 1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4234 4.8131 -0.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2496 4.8510 -0.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0257 5.3412 -0.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9139 4.2974 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5744 3.7939 -1.4527 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4458 2.8025 -1.3953 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6939 1.5873 -0.5707 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5120 0.6242 -0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2563 1.2471 -0.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1115 0.3348 -0.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0072 0.8474 -0.5384 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0972 -1.0011 0.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8600 -1.7125 0.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5509 -1.8072 -1.3886 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5391 -2.8171 -2.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4501 -4.0543 -1.4119 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5304 -5.1416 -2.0857 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7974 -5.9743 -3.1273 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7821 -4.2602 -2.8216 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1942 -6.1679 -0.9176 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5352 -7.3669 -1.5119 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1358 -8.3395 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 -8.5805 0.5131 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9401 -7.4072 1.3145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7348 -2.3804 -1.6281 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5698 -1.6512 -2.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1404 -0.5762 -2.9324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9668 -2.0742 -2.8311 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 -1.0029 -3.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8247 0.2973 -3.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8366 0.5308 -1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8119 -0.3242 -0.8044 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 0.1977 0.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1770 0.2807 -0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1829 0.7956 0.7048 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3452 -0.0889 1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8386 -1.4251 1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9472 -1.9607 1.9854 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8568 -1.2844 2.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1949 -1.1247 2.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7408 0.0458 2.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1669 1.3686 2.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0925 2.1448 1.1282 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5164 3.5093 1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5299 4.1750 -0.0616 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9700 4.2458 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2359 -1.7581 2.1400 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5956 -2.2168 2.6749 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2814 -0.7082 3.3418 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3450 -1.5374 0.5667 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2995 -0.0802 0.6420 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5383 -0.7779 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49 2 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 21 85 1 0 22 86 1 0 23 87 1 0 23 88 1 0 27 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 32 95 1 0 32 96 1 0 32 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 0 51125 1 0 52126 1 0 52127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 M END