HMDB0262250 RDKit 3D PE(20:3(8Z,11Z,14Z)/20:4(5Z,8Z,11Z,13E)-OH(15S)) 132131 0 0 0 0 0 0 0 0999 V2000 -14.8431 -2.7879 0.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5081 -3.3321 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1911 -2.7483 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9601 -3.3571 -2.3211 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6860 -2.8032 -2.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8570 -1.3363 -3.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1217 -0.4033 -2.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9525 -0.7175 -1.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7543 -0.0942 -2.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0518 0.7981 -1.7271 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3892 1.2485 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2481 0.9931 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7223 1.9327 1.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2014 3.3036 1.3361 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2678 4.3914 0.9194 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9753 4.4047 1.7471 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 5.6111 1.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8773 5.8074 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8324 4.8212 1.8374 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0504 3.4151 2.1922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6951 3.0778 3.1915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5109 2.4356 1.3699 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6127 1.0652 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8869 0.4091 0.3324 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0388 -1.0457 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 -1.8026 -0.5267 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7651 -3.4267 -0.3388 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.8728 -3.5493 0.7027 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4560 -3.9395 -1.8224 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5097 -4.3972 0.0952 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6505 -4.0650 -0.6010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7433 -5.0484 -0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9788 -4.9496 1.2409 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3973 0.9583 0.3868 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7380 1.8909 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 2.1472 -1.4579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 2.6393 -0.7268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0943 2.2851 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2674 3.2481 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7694 3.2624 -1.4007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9782 2.9974 -1.8471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0635 2.6205 -0.9458 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6660 1.3111 -1.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9496 1.1718 -1.5774 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8458 2.2821 -1.6325 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9968 2.4641 -0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3744 1.7114 0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7335 0.5214 0.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2634 -0.1843 1.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5738 -1.3977 2.1015 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3583 -0.9473 2.7706 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0544 -2.2284 0.9851 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 -2.7353 -0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0757 -3.6362 0.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1659 -3.1504 1.1607 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2616 -4.2479 1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9072 -2.2932 1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1732 -3.5653 1.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5983 -1.9597 0.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3486 -3.0218 -1.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4542 -4.4327 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3927 -3.0748 -0.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3190 -1.6618 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8877 -4.4677 -2.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7982 -3.0567 -2.9697 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6968 -3.1965 -4.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7943 -3.1760 -2.5121 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7259 -1.0483 -3.7394 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3498 0.6357 -2.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1859 -0.3740 -0.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7714 -1.8238 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4809 -0.4270 -3.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1856 1.2321 -2.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3630 2.4060 -0.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3707 1.0712 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8287 -0.0152 0.6207 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8526 1.7125 1.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2402 3.4854 0.9812 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3372 3.5148 2.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9489 4.2710 -0.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7109 5.3936 1.0051 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2209 4.2778 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3820 3.5225 1.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8074 6.5470 1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 5.6723 0.3215 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4646 6.8312 1.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0461 5.8913 3.2574 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5937 4.8767 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 5.1040 2.3764 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0386 0.7564 2.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6360 0.6815 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4888 0.7759 -0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1410 -1.2792 0.3492 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 -1.4131 1.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8060 -3.7715 -2.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5051 -4.2203 -1.6861 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0297 -3.0553 -0.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6981 -4.8533 -0.7313 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4220 -6.0706 -0.4372 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3431 -4.0326 1.5496 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -5.7118 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7301 3.7272 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 2.5262 -1.8145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7786 2.2751 1.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4555 1.2704 -0.0457 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0085 3.0835 0.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8078 4.2714 0.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 3.5473 -2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1445 3.0638 -2.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7520 3.4639 -0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 2.5269 0.1003 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0494 0.4220 -1.2434 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3201 0.1441 -1.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 3.2869 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3113 2.1948 -2.7272 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6342 3.3992 -0.9940 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3099 2.0333 0.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8258 0.1448 0.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1657 0.1856 2.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0558 -1.9678 2.8960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7765 -0.6418 2.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6088 -3.1528 1.4977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1488 -1.7488 0.5349 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2929 -1.9051 -0.7643 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2887 -3.3377 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 -4.6020 0.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5856 -4.0457 -0.6524 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8210 -3.0276 2.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6261 -2.2047 0.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7401 -5.1909 1.4767 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8769 -4.0054 2.1859 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9078 -4.2430 0.3986 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 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 24 34 1 0 34 35 1 0 35 36 2 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 41 42 1 0 42 43 1 0 43 44 2 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 1 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 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 15 81 1 0 16 82 1 0 16 83 1 0 17 84 1 0 17 85 1 0 18 86 1 0 18 87 1 0 19 88 1 0 19 89 1 0 23 90 1 0 23 91 1 0 24 92 1 6 25 93 1 0 25 94 1 0 29 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 37102 1 0 37103 1 0 38104 1 0 38105 1 0 39106 1 0 39107 1 0 40108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 47117 1 0 48118 1 0 49119 1 0 50120 1 1 51121 1 0 52122 1 0 52123 1 0 53124 1 0 53125 1 0 54126 1 0 54127 1 0 55128 1 0 55129 1 0 56130 1 0 56131 1 0 56132 1 0 M END