HMDB0260724 RDKit 3D PE(14:1(9Z)/18:2(10E,12Z)+=O(9)) 114113 0 0 0 0 0 0 0 0999 V2000 -12.2920 3.7846 3.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6255 3.8320 1.8994 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4740 2.4627 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0622 1.9116 1.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0719 2.7613 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3400 2.3044 -0.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4248 0.9653 -0.8590 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1224 0.2346 -0.7710 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5774 0.0353 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2978 -0.7706 0.5935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1669 -0.1934 -0.1655 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6268 1.1090 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5189 1.5895 -0.6112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3549 0.7036 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4808 0.9155 -1.5938 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1080 -0.3613 0.1393 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9333 -1.1437 -0.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9497 -1.8488 -1.3489 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9880 -3.0174 -1.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 -3.7528 -2.3618 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8756 -5.1190 -2.3425 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1879 -5.4849 -3.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9388 -6.4204 -1.7267 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 -5.0594 -1.5169 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2609 -5.6587 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5750 -5.6759 0.4613 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1065 -4.3504 0.7066 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3013 -2.5521 -1.6018 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9252 -2.4054 -2.8356 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3396 -1.6098 -3.6536 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1588 -3.1028 -3.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 -2.4446 -2.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3621 -2.4171 -1.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 -1.8100 -0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8303 -2.6262 -1.0515 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1055 -2.0932 -0.4933 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 -0.6891 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 -0.1938 -0.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4057 -1.0098 0.2329 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0342 1.1719 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2388 1.5722 -0.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6297 2.9213 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7813 3.4221 -0.0285 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7943 2.6464 0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1812 3.0818 2.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8045 4.3859 2.2827 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0811 5.6304 1.9558 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7554 5.7073 2.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2057 3.8298 3.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7950 4.6089 3.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6462 2.7953 3.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9014 4.5478 1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6725 4.1727 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1758 1.7917 1.8490 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8213 2.4700 0.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9714 0.8684 1.1432 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8469 1.9371 2.5298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9090 3.8020 1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6216 3.0406 -0.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2889 0.3565 -0.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5827 1.1396 -1.9864 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3214 0.7063 -1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3006 -0.7643 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3126 -0.5480 1.1931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4537 0.9836 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5854 -1.7268 0.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0776 -1.0666 1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3257 -0.9356 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3843 -0.1736 -1.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3741 1.9280 0.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1875 1.0758 1.3165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1254 2.5865 -0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8813 1.8130 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0703 -0.4254 -0.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7953 -1.8395 0.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 -1.2843 -2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9743 -2.5481 -1.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7615 -3.5987 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9831 -6.1560 -1.7430 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8699 -6.6883 -0.3398 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5317 -5.0479 0.3476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3732 -6.1157 1.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3573 -6.2716 -0.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6623 -3.9086 1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1472 -4.4555 0.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1365 -4.1811 -2.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 -3.0610 -4.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3144 -2.9073 -3.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -1.3859 -3.0330 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5581 -1.7278 -0.7755 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 -3.4401 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6541 -1.7868 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6812 -0.7605 -0.9961 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6357 -3.6713 -0.6668 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9740 -2.6948 -2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9817 -2.6925 -0.8308 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0251 -2.0960 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3790 -0.5905 -2.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5890 0.0214 -0.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4225 1.8572 -1.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8632 0.8772 0.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9463 3.5993 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9614 4.4751 -0.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 1.5645 0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7347 2.6172 0.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8986 2.2974 2.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2656 3.0188 2.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0520 4.4394 3.3930 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8111 4.3805 1.7606 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0257 5.9659 0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6979 6.4690 2.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9829 5.0780 2.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8866 5.3391 3.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4096 6.7583 2.6323 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 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 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 37 38 1 0 38 39 2 0 38 40 1 0 40 41 2 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 3 55 1 0 4 56 1 0 4 57 1 0 5 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 17 74 1 0 17 75 1 0 18 76 1 6 19 77 1 0 19 78 1 0 23 79 1 0 25 80 1 0 25 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 40100 1 0 41101 1 0 42102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 46109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 48114 1 0 M END