HMDB0262593 RDKit 3D PE(20:4(6E,8Z,11Z,14Z)+=O(5)/20:5(5Z,8Z,11Z,14Z,17Z)) 126125 0 0 0 0 0 0 0 0999 V2000 7.9524 -4.4755 1.4453 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3271 -3.8763 1.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7237 -4.2491 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9678 -3.3861 -1.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 -1.9269 -1.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9325 -1.3662 -2.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3168 -0.5122 -2.9737 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6713 -0.0710 -3.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1215 1.2901 -2.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5253 2.3619 -2.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1083 2.6022 -2.4183 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0529 3.1539 -1.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3472 2.6338 -0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5003 1.4439 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1317 1.8632 0.0434 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 1.3227 0.9498 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 0.1967 1.7602 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9312 -0.9996 1.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5256 -0.9284 1.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6406 0.0806 1.4229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1214 0.9814 2.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2400 0.2373 0.0942 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3914 1.2621 -0.3173 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1164 0.8360 -0.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7043 0.0029 -0.2436 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.2556 1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8734 1.3261 1.5895 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0953 -0.7310 1.7002 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0072 -0.4658 3.1891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9510 -1.4253 3.9253 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3487 -1.1522 3.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7403 0.0312 3.4049 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3018 -2.2310 3.4040 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5964 -1.9636 3.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5544 -3.0252 2.9438 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8053 -2.8118 2.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3260 -1.4210 2.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4150 -1.1828 3.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6125 -0.7907 3.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0781 -0.5131 1.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1797 -1.4075 1.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1786 -2.2288 0.3805 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0912 -2.3685 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3249 -2.1240 -2.0031 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8172 -0.7804 -2.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1892 -0.4354 -1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6040 0.9601 -2.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1837 2.1798 -1.2601 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6447 1.4640 -2.3802 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5208 2.5606 -3.3749 P 0 0 0 0 0 5 0 0 0 0 0 0 2.5912 2.9239 -4.4997 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8413 1.7458 -4.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9430 3.8666 -2.4078 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 5.0729 -2.8742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 6.2041 -1.9107 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 5.9209 -0.6123 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5567 -3.9937 2.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2953 -4.3318 0.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1070 -5.5608 1.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3492 -2.8435 1.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0322 -4.4302 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8257 -5.3404 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 -3.7716 -2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8381 -1.4395 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 -1.6838 -0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8688 -1.6440 -2.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5397 -0.1591 -3.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0179 -0.4323 -4.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3421 -0.7965 -2.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2580 1.4071 -3.1457 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1421 3.3147 -2.6367 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7986 3.4442 -3.1433 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5059 1.7575 -2.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6914 4.0577 -0.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3466 3.0773 0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5076 0.9624 -1.2673 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9452 0.6827 0.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7129 2.7151 -0.5296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3671 1.7123 1.1615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8452 -0.1527 1.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6433 0.5154 2.8451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0667 -1.2780 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4724 -1.8532 2.0800 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4858 -0.9675 3.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 -1.9436 1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0788 1.9456 0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 0.3706 -1.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4441 1.7978 -1.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -1.7473 1.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0864 -0.5612 1.2845 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9690 -0.6688 3.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2658 0.5692 3.4465 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8228 -1.2510 5.0169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6043 -2.4418 3.7268 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0553 -3.2726 3.4935 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8029 -0.9162 3.0446 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2249 -4.0825 3.0395 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4732 -3.6748 2.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6426 -1.3510 1.4626 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5283 -0.7086 2.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1582 -1.3584 4.5621 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3251 -0.6633 4.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4591 0.5745 1.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2424 -0.4489 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0910 -1.4258 2.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0719 -2.8590 0.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7777 -3.4850 -0.5133 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1514 -1.8401 -0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0028 -2.9232 -2.4275 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3528 -2.2984 -2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7923 -0.6839 -3.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0942 0.0372 -2.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2625 -0.4189 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9361 -1.1196 -2.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7076 1.0352 -2.3586 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2268 1.1452 -3.3926 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1625 1.6751 -1.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0582 2.5925 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5494 3.0263 -1.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9376 0.8841 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7910 5.3211 -3.9064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 5.0242 -2.8772 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4298 7.1705 -2.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9456 6.3218 -1.8582 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9971 5.7442 0.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6961 6.7371 -0.3100 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 23 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 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 23 86 1 1 24 87 1 0 24 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 92 1 0 30 93 1 0 30 94 1 0 33 95 1 0 34 96 1 0 35 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 42106 1 0 43107 1 0 43108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 46113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 52120 1 0 54121 1 0 54122 1 0 55123 1 0 55124 1 0 56125 1 0 56126 1 0 M END