HMDB0296795 RDKit 3D DG(22:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0) 132131 0 0 0 0 0 0 0 0999 V2000 -15.9366 -3.7056 3.2322 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4558 -3.2372 1.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3198 -2.1705 1.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9778 -0.9455 0.9956 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5858 -0.4804 1.1535 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5014 0.6907 2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0192 1.8165 1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5100 2.0719 0.3193 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0883 2.5055 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0887 1.9125 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2375 0.6559 -0.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3832 -0.3484 -0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4085 -0.9284 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0906 -0.6475 -2.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6423 -0.0682 -2.5503 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6556 0.1274 -3.9578 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5369 1.2359 -1.8752 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3917 1.8655 -2.5487 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0806 1.2807 -0.4572 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7134 0.8676 -0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1457 -0.4527 -0.4358 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 -0.3248 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2774 -0.9057 1.0750 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8492 0.4733 -0.6536 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5196 0.8113 -0.5078 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8026 0.5016 -1.7925 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5506 0.8160 -1.7674 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3545 2.2998 -0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 2.8060 -0.1595 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 2.5477 0.6066 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9233 1.6543 1.4530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2074 3.3535 0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3677 2.9097 1.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7970 1.5126 0.8489 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 1.3950 -0.6237 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1061 2.3680 -1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4526 2.2373 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0956 0.8563 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1445 0.6083 -2.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7565 -0.6210 -2.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3061 -1.9408 -2.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -2.5993 -1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5200 -2.9999 -0.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5687 -2.1940 0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4035 -1.3314 -0.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5571 -0.6462 0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5031 -1.6834 0.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6310 -0.9314 1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6408 -1.9067 1.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7661 -1.1449 2.6260 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4543 -0.2080 1.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0639 -0.9330 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9081 -4.1880 3.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2061 -4.4914 3.5635 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8360 -2.8760 3.9352 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5506 -4.1330 1.1493 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4051 -3.0639 1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3878 -2.4817 1.1828 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7674 -0.2888 0.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9975 -1.2735 1.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1486 -0.3580 0.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8837 0.5118 3.0924 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9865 2.6530 2.3870 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0488 3.0469 0.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7776 1.3997 -0.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8870 3.4348 0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0878 2.3488 -0.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2433 0.2480 -1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9748 0.9379 -2.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5862 -0.5886 0.6939 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8071 -1.6740 -0.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9387 -1.6835 -2.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8016 -0.1794 -2.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9609 -0.8249 -2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2326 -0.6454 -4.4167 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3600 1.9234 -2.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7316 1.1548 -2.7161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8409 0.8333 0.2462 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1514 2.3895 -0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9843 1.6170 -0.6684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4468 1.0947 0.9391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0077 -0.7533 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5645 -1.3097 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0081 0.3069 0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2923 0.9905 -2.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8377 -0.6039 -2.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9536 0.3425 -2.5590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9071 2.8192 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0089 2.5540 0.6691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3917 3.3274 -0.7346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9868 4.4527 0.6010 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1935 3.6505 1.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 2.9794 2.2557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0061 0.7620 1.0892 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7251 1.2936 1.4409 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1011 1.5205 -1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 0.3342 -0.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7761 3.4381 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1470 2.3737 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3552 2.2912 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0936 3.0612 -0.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5704 0.1091 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1183 0.9636 -0.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0784 0.6305 -2.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6166 1.4698 -2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5224 -0.5879 -3.9531 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8703 -0.4591 -2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1796 -2.0122 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 -2.6841 -3.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7367 -3.6120 -1.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6162 -2.1040 -0.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2063 -3.7667 0.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0585 -3.7961 -1.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0933 -1.4959 1.0124 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2292 -2.8392 0.9196 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8163 -0.4198 -0.9698 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8183 -1.7989 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0636 0.0654 -0.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1223 -0.0297 0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9311 -2.2345 -0.2179 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 -2.4214 1.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2204 -0.3247 2.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0517 -0.2569 0.6219 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0429 -2.5557 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1240 -2.5834 2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4785 -1.8453 3.0555 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2763 -0.5802 3.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7729 0.6196 1.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2603 0.3177 2.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5215 -0.1707 -0.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3138 -1.5079 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8789 -1.5897 0.8524 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 15 17 1 0 17 18 1 0 17 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 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 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 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 7 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 14 73 1 0 15 74 1 6 16 75 1 0 17 76 1 1 18 77 1 0 19 78 1 0 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 25 84 1 1 26 85 1 0 26 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 32 90 1 0 32 91 1 0 33 92 1 0 33 93 1 0 34 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 41109 1 0 42110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 45116 1 0 45117 1 0 46118 1 0 46119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 M END