HMDB0114066 RDKit 3D PE-NMe2(18:2(9Z,12Z)/14:1(9Z)) 121120 0 0 0 0 0 0 0 0999 V2000 3.9489 7.2962 1.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6425 6.5823 0.8764 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4628 5.4616 1.8650 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1668 4.6951 1.5589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3255 4.1630 0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4890 4.4723 -0.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6881 5.3520 -0.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 4.4603 -1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 5.2715 -1.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4699 4.7122 -1.2281 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9026 4.0728 -2.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2119 2.8280 -2.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7827 2.2436 -4.1585 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0514 0.9983 -4.5017 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3919 0.2937 -5.4830 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9687 0.5617 -3.7596 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2179 -0.5887 -3.9942 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3410 -1.5737 -2.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -1.0334 -1.6178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0066 -1.8446 -0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4025 -3.0251 -0.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6233 -1.3466 0.8319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 -1.6058 1.1801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1574 -3.1035 1.1779 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6045 -3.2855 1.5721 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1023 -4.6657 1.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3257 -5.5961 2.5498 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 -6.9458 2.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -8.0711 3.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5489 -8.2385 4.0933 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4033 -7.2607 4.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2577 -7.1897 6.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0506 -6.1074 6.7643 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0824 -4.7238 6.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 -3.8537 6.9186 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9879 -2.4312 6.4785 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2210 -2.2162 5.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2147 -0.7259 4.6787 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8115 -0.2711 -4.3638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1354 0.4391 -3.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4596 0.7335 -3.8841 P 0 0 0 0 0 5 0 0 0 0 0 0 2.3495 -0.1838 -3.0446 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6254 0.3206 -5.5298 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9495 2.3151 -3.6047 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2194 2.9102 -4.8323 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6815 4.3241 -4.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 5.2115 -4.0627 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5620 5.4901 -4.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4287 6.4583 -3.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7573 6.6045 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0529 8.2360 0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1098 7.4056 2.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7831 6.1322 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8002 7.3140 0.9208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5148 5.7867 2.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2850 4.7288 1.6633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0621 3.8566 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3676 5.4307 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1885 3.4843 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7428 3.9922 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6641 6.2180 -1.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9561 5.6926 0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8408 3.5774 -0.4696 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6337 4.2074 -2.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0189 6.2007 -1.6741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1831 5.7883 0.0243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2127 5.5536 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7111 3.9721 -0.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9987 3.7719 -2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0125 4.7928 -3.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3996 2.0106 -2.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 2.8774 -2.9712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6668 2.9967 -4.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8490 2.0033 -4.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6538 -1.1191 -4.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3420 -2.0113 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 -2.4166 -3.1070 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2802 -1.7501 1.6377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7392 -0.2263 0.8036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0464 -1.1888 2.1670 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4740 -1.0979 0.4357 H 0 0 0 0 0 0 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H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7515 -1.8883 7.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 -2.6753 4.6483 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3495 -2.6604 4.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -0.3252 4.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7390 -0.5509 3.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7612 -0.1499 5.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2228 -1.1839 -4.6441 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7528 0.3760 -5.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0490 0.9499 -6.0313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3282 2.8908 -5.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0288 2.3284 -5.3164 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8661 4.7115 -5.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6792 4.3888 -4.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1621 4.6677 -4.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0878 6.4070 -4.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8100 5.7657 -5.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 7.1804 -4.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5032 6.2852 -3.5374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9877 6.9581 -2.8694 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 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 17 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 41 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 9 66 1 0 10 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 22 78 1 0 22 79 1 0 23 80 1 0 23 81 1 0 24 82 1 0 24 83 1 0 25 84 1 0 25 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 43111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 48116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 49121 1 0 M END