HMDB0294490 RDKit 3D DG(20:3(8Z,11Z,14Z)-2OH(5,6)/10:0/0:0) 98 97 0 0 0 0 0 0 0 0999 V2000 12.1682 3.0956 0.5674 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 2.4401 1.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0655 1.7613 0.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8123 0.7020 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8526 0.0664 -1.4965 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4664 -0.9864 -2.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1026 -2.2246 -2.2837 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0717 -2.8612 -1.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2534 -2.1830 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9581 -2.0207 -0.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1028 -2.5914 -1.6006 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1362 -3.5597 -1.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8429 -3.4517 -1.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 -2.3321 -1.8533 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3462 -1.4516 -0.9483 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7887 -0.4645 -1.7332 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4196 -2.2378 -0.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -2.8480 -0.9381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7559 -1.4870 1.0057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0891 -0.3776 0.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7284 0.4098 1.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5981 1.4719 1.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8766 1.5464 -0.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1660 2.4543 1.8825 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0077 3.4747 1.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3165 2.9344 0.8848 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.1347 4.1555 0.4605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3817 4.7941 -0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9751 2.2110 1.8862 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3796 0.9065 1.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1943 0.2772 0.6613 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0572 0.2586 2.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5153 -1.1318 2.5961 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5185 -1.2452 1.4776 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7631 -0.4158 1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7153 -0.5931 0.6258 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9828 0.1966 0.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9228 -0.0039 -0.3330 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3395 0.4303 -1.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4234 0.1678 -2.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8914 3.5234 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5919 3.9031 1.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9768 2.3376 0.4880 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4299 3.2365 1.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3284 1.7132 2.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2616 1.2909 0.8502 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6428 2.5426 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6148 1.1916 -1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2920 -0.0397 0.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7553 0.9482 -2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8308 -0.0131 -1.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3235 -0.6985 -2.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6945 -2.8965 -2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4058 -3.4463 -2.2254 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5603 -3.7894 -0.9730 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 -1.7262 0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4521 -1.4712 0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5953 -3.0562 -2.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5995 -1.6700 -2.0387 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -4.4110 -0.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1892 -4.2452 -0.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7994 -1.7758 -2.5612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4075 -2.8323 -2.5212 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0481 -0.8881 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 0.3580 -1.8102 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9891 -3.0713 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3571 -2.2875 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4683 -1.1742 1.8004 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0557 -2.1970 1.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9300 -0.8179 -0.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3987 0.3617 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 -0.2681 2.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0629 0.8207 2.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5798 4.1288 0.6622 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 4.1047 2.3192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1608 2.3367 -0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3419 4.8226 1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0766 3.7916 0.0017 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0421 4.1521 -1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3062 0.1972 3.7016 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9005 0.8669 3.2411 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6336 -1.7459 2.2951 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9975 -1.5261 3.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1613 -0.9422 0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8459 -2.3137 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1914 -0.7990 2.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4625 0.6415 1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2509 -0.2644 -0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9553 -1.6628 0.5360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7283 1.2924 0.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4485 -0.0652 1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2340 -1.0876 -0.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8761 0.5547 -0.1522 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1443 1.5056 -1.6430 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4263 -0.1416 -1.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2121 0.9228 -2.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0027 0.1934 -3.7165 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8677 -0.8127 -2.4419 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 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 27 28 1 0 26 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 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 11 59 1 0 12 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 16 65 1 0 17 66 1 0 18 67 1 0 19 68 1 0 19 69 1 0 20 70 1 0 20 71 1 0 21 72 1 0 21 73 1 0 25 74 1 0 25 75 1 0 26 76 1 6 27 77 1 0 27 78 1 0 28 79 1 0 32 80 1 0 32 81 1 0 33 82 1 0 33 83 1 0 34 84 1 0 34 85 1 0 35 86 1 0 35 87 1 0 36 88 1 0 36 89 1 0 37 90 1 0 37 91 1 0 38 92 1 0 38 93 1 0 39 94 1 0 39 95 1 0 40 96 1 0 40 97 1 0 40 98 1 0 M END