HMDB0284286 RDKit 3D PE(22:5(7Z,10Z,13Z,16Z,19Z)/18:2(9Z,11E)+=O(13)) 130129 0 0 0 0 0 0 0 0999 V2000 16.1369 5.7571 -0.3027 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0879 4.8920 -1.0241 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1318 4.3115 -0.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9966 3.0091 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7677 1.9891 -0.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5389 1.1116 0.1957 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3386 -0.1754 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3839 -0.9530 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4314 -1.6513 0.3016 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1327 -1.5361 0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4436 -0.6194 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6469 0.3983 0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3412 0.5240 0.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5669 -0.3923 -0.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5631 -1.1521 -0.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2769 -1.1084 -0.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6346 -0.3380 -1.3173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 -1.2708 -2.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8831 -2.0746 -1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8692 -1.2166 -0.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9295 -2.0964 0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9347 -1.2372 0.6697 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5778 -0.1601 0.1766 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 -1.6450 1.8480 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5542 -1.0772 2.6749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8935 -1.0454 2.0751 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2317 -2.5087 1.6665 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3867 -2.9079 0.6290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7076 -4.4588 0.1076 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7265 -4.4055 -1.4262 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2019 -5.0269 0.6750 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5283 -5.5851 0.5274 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0717 -5.2951 1.7328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -6.3831 2.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4017 -7.6375 2.0536 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1027 -0.3077 0.9077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2232 0.5447 0.8627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9468 0.5861 1.9149 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 1.3727 -0.2970 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6269 0.5749 -1.1441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8054 0.1855 -0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6124 1.2990 0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6775 0.6695 1.1346 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5762 -0.2708 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3554 0.4385 -0.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2129 -0.5746 -1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5131 -0.5397 -1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2565 0.5364 -0.6901 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5920 0.5453 -0.7168 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4030 1.5864 -0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8124 2.5299 0.4758 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.8957 1.5008 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4685 2.2636 -1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1435 3.7307 -1.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6956 4.3503 0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3051 5.8216 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7263 5.1644 0.4145 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6279 6.5476 0.2957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7345 6.2693 -1.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5267 4.2743 -1.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4988 5.6812 -1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5121 4.9564 0.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2706 2.6155 0.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5223 2.4031 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0513 1.4523 -1.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2926 1.5631 0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9487 -0.7535 0.9498 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0134 -0.5028 -1.4808 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0444 -1.8219 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8919 -2.3512 1.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5183 -2.1163 1.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9436 -1.1482 -1.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2420 -0.0115 -1.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1878 1.1039 0.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8377 1.3166 0.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1114 0.2381 -1.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2299 -1.1654 -1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9715 -1.7530 0.7962 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6545 -1.7240 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8663 0.3343 -0.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2607 0.2937 -1.9363 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5605 -1.8672 -2.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 -0.6104 -2.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3363 -2.7071 -2.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3622 -2.7563 -0.7556 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -0.5023 -0.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2353 -0.7331 -1.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3821 -2.8185 -0.6469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5057 -2.6618 0.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2256 -0.0797 3.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 -1.7508 3.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6666 -0.8370 2.8574 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2958 -2.6212 1.4295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0049 -3.1412 2.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8799 -4.3640 0.3281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5989 -4.3308 1.6045 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6381 -5.2289 2.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8451 -6.4330 1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6485 -6.1705 2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2031 -7.6242 2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2453 -7.6630 1.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0337 2.3438 -0.0029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7446 1.5506 -0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8494 1.1671 -2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1065 -0.3509 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4921 -0.3845 -1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4748 -0.5552 0.4494 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0556 2.0073 0.8821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0622 1.8904 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2739 1.5043 1.5830 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1233 0.2037 1.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2959 -0.6679 1.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0569 -1.1515 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6451 0.8945 -1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8850 1.2757 -0.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6844 -1.4056 -1.8063 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0345 -1.3489 -1.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8161 1.3628 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0584 -0.2867 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2875 1.8549 0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1841 0.4526 -0.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0153 1.8627 -2.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5517 2.1415 -1.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5943 4.2741 -2.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0553 3.8644 -1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7940 4.2621 0.1037 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1967 3.9156 0.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9141 6.3310 0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2227 5.9700 0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6541 6.1799 -1.0116 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 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 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 19 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 52120 1 0 52121 1 0 53122 1 0 53123 1 0 54124 1 0 54125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 56130 1 0 M END