HMDB0298431 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/i-12:0/0:0) 99 98 0 0 0 0 0 0 0 0999 V2000 10.2437 3.2553 -2.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3832 1.8595 -2.0451 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7211 1.7729 -1.3331 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7132 2.0323 -2.2652 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9435 0.4381 -0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0198 -0.0690 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2326 -1.3771 0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3857 -1.9088 1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1362 -1.4065 2.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6258 -0.0955 1.7624 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5261 0.1840 1.1151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5412 -0.6946 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6843 -2.1240 0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8753 -2.9790 1.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6463 -2.7951 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1433 -1.4640 2.1493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9786 -0.9989 1.7436 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 -1.7774 0.9444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7592 -1.9254 1.7232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -0.6878 2.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4151 0.0922 0.9267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0628 1.1855 1.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1694 -0.3397 -0.3384 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5818 0.2984 -1.5051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0416 0.3292 -1.7748 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.2501 1.1546 -3.0543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 0.6125 -4.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7654 0.9646 -0.7714 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8756 0.3258 -0.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1476 -0.8137 -0.5644 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6501 0.9943 0.8903 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7324 0.1826 1.4976 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8023 -0.2853 0.5815 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5628 0.8092 -0.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5929 0.1647 -1.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5822 -0.6903 -0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3953 -0.0033 0.7639 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2538 1.1275 0.2545 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2313 0.6336 -0.7633 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1180 1.7461 -1.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0375 -0.5328 -0.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7127 4.0006 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1979 3.5610 -2.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7521 3.3372 -3.6062 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3546 1.1138 -2.8862 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5229 1.6454 -1.4021 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7594 2.5792 -0.5673 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2318 2.8482 -2.0447 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8114 -0.1442 -0.9759 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1954 0.5838 0.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1397 -1.9552 0.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6480 -2.9478 1.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4055 -1.3364 3.2144 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3597 -2.2172 2.1422 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2020 0.8113 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3297 1.3046 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5132 -0.3190 0.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6480 -0.4432 -0.6582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5892 -2.5329 -0.0254 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2339 -4.0563 0.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8906 -3.2859 2.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8890 -3.5184 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7825 -0.7768 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7112 0.0530 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4166 -2.7577 0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8450 -1.2574 -0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0764 -2.6536 1.1838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 -2.4638 2.6766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7105 0.0200 2.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8265 -0.8486 2.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1625 1.3463 -1.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0045 -0.1642 -2.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4445 -0.6842 -2.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3109 1.2908 -3.2647 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8244 2.1907 -2.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7561 -0.3392 -4.2719 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9918 2.0103 0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9199 1.2264 1.7245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1602 0.7649 2.3453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2442 -0.7265 1.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3745 -0.9399 -0.1992 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4886 -0.9532 1.1620 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8346 1.3112 -0.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9428 1.5847 0.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0674 0.9118 -1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0239 -0.5319 -1.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2888 -1.0879 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1285 -1.6005 0.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8123 0.2917 1.6666 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1220 -0.7768 1.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8387 1.5488 1.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6647 1.9697 -0.1642 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6554 0.2791 -1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5502 2.3099 -2.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5588 2.3461 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9707 1.2338 -1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6093 -1.4820 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0684 -0.4755 -0.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1192 -0.5514 0.8566 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 1 4 48 1 0 5 49 1 0 6 50 1 0 7 51 1 0 8 52 1 0 9 53 1 0 9 54 1 0 10 55 1 0 11 56 1 0 12 57 1 0 12 58 1 0 13 59 1 0 14 60 1 0 15 61 1 0 15 62 1 0 16 63 1 0 17 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 0 24 72 1 0 25 73 1 6 26 74 1 0 26 75 1 0 27 76 1 0 31 77 1 0 31 78 1 0 32 79 1 0 32 80 1 0 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 41 99 1 0 M END