HMDB0112984 RDKit 3D PE-NMe(14:0/20:2(11Z,14Z)) 126125 0 0 0 0 0 0 0 0999 V2000 13.7850 0.2223 -1.6075 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5694 -0.6632 -1.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3251 -0.0082 -1.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4111 0.3918 0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0434 1.0288 0.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0631 1.4384 1.9570 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8980 2.6654 2.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6711 3.8114 1.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 4.3859 1.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3650 4.4647 0.9316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3813 4.0196 -0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4964 2.9193 -0.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0390 2.9191 -0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 2.9752 0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9459 2.9283 0.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4835 1.6779 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 0.4629 0.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5156 -0.7847 -0.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -0.8715 -0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5652 -2.1448 -0.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4133 -2.8482 -1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7410 -2.5668 -0.7108 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1465 -3.7312 -1.3399 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3267 -3.5477 -2.2376 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4510 -3.1280 -1.5636 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 -1.9335 -0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7334 -1.0521 -0.8976 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9017 -1.6557 -0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0451 -0.2800 0.3222 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0254 0.7362 -0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1838 2.1506 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4662 2.3054 0.5310 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6230 2.0166 -0.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9552 2.1500 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1873 3.5231 0.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1947 4.5985 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2830 4.3641 -1.2045 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6508 4.3388 -0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9823 5.6454 0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3828 5.5547 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18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 45118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END