HMDB0286465 RDKit 3D PC(18:1(9Z)/18:2(10E,12Z)+=O(9)) 135134 0 0 0 0 0 0 0 0999 V2000 5.1592 -1.1823 1.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1125 -1.4690 2.7096 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7587 -1.8046 2.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -3.0192 1.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2854 -3.0540 0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9836 -4.2864 -0.6371 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4849 -4.2777 -1.8269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -3.0622 -2.5432 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6422 -3.1179 -3.7840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3025 -1.9006 -4.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4752 -0.7649 -4.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7527 -2.0353 -5.8750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7036 -1.7329 -6.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9998 -0.2777 -5.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4564 0.0108 -5.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8629 1.3651 -5.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3978 2.5621 -6.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9815 2.9594 -6.0944 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3791 3.1827 -4.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5529 4.3293 -4.2082 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3564 2.2656 -4.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8849 2.6125 -2.7655 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3635 2.6047 -2.8355 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0770 2.8491 -1.6904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2809 2.0779 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 0.9097 -0.5721 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0593 2.4756 0.6163 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1358 3.0947 1.6651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4932 4.3332 1.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5693 4.9501 2.1814 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3224 4.2903 2.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2633 2.9654 3.1759 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9530 2.7476 4.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4842 3.5665 5.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 3.0834 6.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2354 1.6429 6.8891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5236 1.0962 8.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 -0.3611 8.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7156 -1.1645 7.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4749 -2.6508 7.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -3.3520 6.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7419 -4.8439 6.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6963 -5.2326 6.2963 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2685 1.6967 -1.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1478 1.8024 -1.7960 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8107 0.7598 -0.6254 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.8993 -0.4421 -0.5410 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8647 1.5190 0.8873 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.3445 0.2243 -1.0282 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2728 -0.9534 -1.7835 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6723 -1.3836 -2.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6983 -2.6015 -2.9010 N 0 0 0 0 0 4 0 0 0 0 0 0 -5.5419 -3.5582 -2.1838 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2532 -2.3802 -4.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 -3.2130 -3.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9505 -1.9633 1.6426 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7133 -0.2512 2.0796 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7932 -0.8610 0.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9975 -0.5889 3.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5243 -2.2632 3.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1012 -1.8813 3.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3783 -0.8711 1.6922 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4319 -3.2073 1.2391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8054 -3.9012 2.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1925 -2.1516 -0.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3791 -3.1403 0.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 -5.2304 -0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -5.2316 -2.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2820 -2.0611 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4974 -4.1004 -4.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 -1.2805 -6.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9856 -3.0131 -6.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9802 -1.7956 -7.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3544 -2.4441 -5.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 -0.2812 -4.4856 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3414 0.3955 -6.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 -0.7594 -5.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8347 -0.3017 -6.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 1.5354 -4.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0100 1.3880 -5.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9685 3.4430 -5.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8474 2.6067 -7.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0077 4.0379 -6.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2912 2.4692 -6.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5859 3.6826 -2.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6503 3.3018 -3.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6544 1.5781 -3.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4856 1.5627 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8836 3.1622 0.4002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4950 2.3239 2.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8350 3.3706 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0003 4.1999 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3365 5.0703 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2876 5.9931 1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1104 5.2171 3.1421 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3607 4.3299 1.6284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2680 4.9900 3.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3441 2.0891 2.4713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8772 2.8451 3.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 3.0114 4.2786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 1.6572 4.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5837 4.6618 5.5089 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 3.7362 7.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1715 1.0174 6.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3385 1.5569 7.2270 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 1.6249 8.9889 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6162 1.3031 7.9555 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7744 -0.5502 8.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8873 -0.7612 9.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1932 -0.9007 6.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8182 -1.0022 6.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0579 -3.0754 8.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -2.8511 7.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0035 -3.1507 5.8200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3540 -2.9602 5.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0354 -5.2446 5.0821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3702 -5.2781 6.8665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -5.9081 5.4890 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 -5.7113 7.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3849 -4.3543 6.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 0.6530 -1.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4929 2.0685 -0.7231 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7052 -0.7043 -2.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7282 -1.6996 -1.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0941 -0.5739 -2.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2970 -1.4401 -1.2194 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 -3.9469 -1.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6753 -4.4124 -2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5364 -3.1697 -1.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5010 -1.2908 -4.3660 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5496 -2.7317 -5.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1970 -2.9507 -4.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6310 -2.5807 -3.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 -3.6382 -2.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -4.0856 -3.7097 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 10 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 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 2 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 22 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 52 54 1 0 52 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 9 70 1 0 12 71 1 0 12 72 1 0 13 73 1 0 13 74 1 0 14 75 1 0 14 76 1 0 15 77 1 0 15 78 1 0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 22 85 1 1 23 86 1 0 23 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 53127 1 0 53128 1 0 53129 1 0 54130 1 0 54131 1 0 54132 1 0 55133 1 0 55134 1 0 55135 1 0 M CHG 2 48 -1 52 1 M END