HMDB0287601 RDKit 3D PC(20:4(8Z,11Z,14Z,17Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) 137136 0 0 0 0 0 0 0 0999 V2000 -3.9599 4.9313 7.3891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5616 5.2372 6.8233 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5774 6.4069 5.9632 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2380 6.4075 4.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 5.1692 4.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4040 5.3664 3.4994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1610 5.2991 2.2259 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2177 5.0285 1.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2664 6.1785 0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0967 6.1610 -1.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8231 5.0552 -1.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6937 3.6781 -1.5412 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 2.9031 -1.7138 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6095 3.3585 -2.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8325 3.0974 -1.4098 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6429 3.6996 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9246 3.5081 0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6453 4.0972 2.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6180 3.3143 2.8854 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0999 1.9690 3.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3072 1.9427 3.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3279 0.8220 3.3314 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9363 -0.3439 3.8689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0489 -1.5603 3.7432 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4406 -2.5026 2.6727 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9799 -2.3334 1.3930 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6947 -3.6310 0.5199 P 0 0 0 0 0 5 0 0 0 0 0 0 2.6695 -4.8292 1.4949 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3128 -3.3404 0.1910 O 0 0 0 0 0 1 0 0 0 0 0 0 1.8012 -4.1105 -0.8049 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6289 -4.8361 -1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7850 -5.2770 -2.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4829 -6.0146 -3.8579 N 0 0 0 0 0 4 0 0 0 0 0 0 1.7077 -7.2381 -4.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4778 -5.2947 -5.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8225 -6.3957 -3.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7468 -1.3620 4.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1133 -1.6878 5.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3138 -2.3898 5.9797 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5373 -1.2621 5.0539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 -2.0011 4.0390 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8047 -1.4662 4.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7804 -0.0098 3.7326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8471 0.8332 4.6952 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6793 0.5326 2.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6204 -0.2700 1.3463 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5131 0.2450 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 -0.5437 -1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4688 -1.9556 -1.0252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 -2.8058 -1.4998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2073 -2.5233 -1.9457 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6706 -1.1612 -2.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4262 -0.9083 -3.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7073 -0.5991 -4.0676 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -0.4610 -3.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9839 -1.4650 -3.8207 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2528 -1.3080 -3.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2801 -2.2656 -3.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5713 -2.1301 -2.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 5.7706 8.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6319 4.7290 6.5436 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8591 4.0053 7.9840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9300 5.5409 7.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1518 4.3061 6.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 7.3803 6.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2860 7.3555 4.1028 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6624 4.3588 4.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5211 4.7809 3.3193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4170 5.5701 4.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8540 5.4413 1.8766 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2206 4.9537 1.6290 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9735 4.0650 0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4798 7.1526 0.7462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1764 7.1838 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0884 5.3369 -2.5262 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 5.1004 -2.7776 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5894 3.1369 -1.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3047 1.8456 -1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6490 4.3925 -2.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7967 2.7197 -3.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 3.5736 -1.9522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9681 2.0164 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 4.8208 -0.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7519 3.3155 0.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6893 4.1392 0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2618 2.4797 0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3425 5.1454 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5738 4.0843 2.7498 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3948 3.8681 3.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6331 3.2165 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2916 -0.1605 4.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8489 -0.5330 3.2426 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 -2.1833 4.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0898 -3.5496 2.9744 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5654 -2.6011 2.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4582 -4.1623 -1.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 -5.7109 -1.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3250 -4.3927 -3.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9232 -5.8516 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9515 -8.0292 -3.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9338 -7.5511 -5.1826 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 -6.9229 -4.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4784 -4.8444 -5.2860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2979 -4.5633 -5.1850 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6399 -6.0034 -5.9899 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5279 -5.6989 -4.1148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1164 -6.4734 -2.5265 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0630 -7.3971 -4.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5506 -0.1736 4.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9318 -1.3407 6.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4423 -3.0481 4.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8960 -1.9895 3.0641 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2350 -1.6233 5.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4192 -1.9838 3.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6448 1.6060 2.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6533 -1.3201 1.5317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4864 1.3476 -0.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4224 0.0000 -2.0010 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4569 -2.2868 -1.5922 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7615 -2.4079 -0.0016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5826 -3.9396 -1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5469 -3.3895 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2894 -0.3687 -1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3203 -1.1726 -1.4824 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3013 -0.9934 -4.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7344 -0.4378 -5.1682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8937 -0.5770 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3861 0.5269 -3.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2243 -1.2293 -4.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6244 -2.4820 -3.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6546 -0.2844 -3.0672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0372 -1.6046 -1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9549 -3.3035 -3.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5535 -1.9585 -4.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2930 -1.4892 -3.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3215 -1.6753 -1.7842 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0563 -3.0966 -2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 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 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 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 33 36 1 0 24 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 4 66 1 0 5 67 1 0 5 68 1 0 6 69 1 0 7 70 1 0 8 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 23 91 1 0 23 92 1 0 24 93 1 1 25 94 1 0 25 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 34100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 36108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 51122 1 0 52123 1 0 52124 1 0 53125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 57131 1 0 57132 1 0 58133 1 0 58134 1 0 59135 1 0 59136 1 0 59137 1 0 M CHG 2 29 -1 33 1 M END