HMDB0295229 RDKit 3D DG(15:0/0:0/20:4(5Z,8Z,10E,14Z)-OH(12S)) 110109 0 0 0 0 0 0 0 0999 V2000 -17.1271 0.5766 -0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2035 -0.4127 -1.0751 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0763 0.0729 -2.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2718 -0.7214 -3.4287 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8256 -0.8387 -3.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4809 -1.4735 -1.9018 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7445 -0.9049 -0.9813 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1824 0.4223 -1.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6651 0.3076 -1.0213 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1217 1.5976 -1.1234 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2987 -0.3033 0.2830 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0141 -0.4806 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5988 -1.0685 1.8357 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3471 -1.2573 2.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2043 -0.8914 1.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3922 -2.0835 0.9954 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1343 -2.1714 1.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4295 -1.0881 2.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3037 -0.5983 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5245 0.5162 1.7843 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4534 0.9672 0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8034 1.6132 -0.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8855 0.7148 1.0341 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9385 1.1128 0.2056 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9698 2.6518 0.1802 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0035 3.0817 -0.6313 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1410 3.0625 1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3172 2.5340 2.1425 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 2.8111 1.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8348 3.6728 0.9493 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7736 2.1381 2.4719 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0786 2.6279 1.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3479 2.4385 0.5100 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3389 1.0333 0.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3415 0.1210 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7612 0.5921 0.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7175 -0.3827 1.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1518 0.0024 0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6447 0.1313 -0.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5591 -1.0944 -1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3302 -2.2606 -0.7951 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7921 -2.0311 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3966 -1.6729 -1.9786 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8972 -1.4645 -1.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8102 1.5909 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1609 0.3234 -0.6055 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9666 0.4433 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6990 -1.4116 -1.1118 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2930 -0.4128 -0.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6595 1.1369 -2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1124 0.2883 -2.8927 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3638 -0.1829 -4.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7446 -1.7438 -3.5974 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3889 0.1841 -3.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3428 -1.5135 -3.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8797 -2.5125 -1.7375 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5411 -1.4756 -0.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5057 1.0837 -1.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4652 0.9623 -0.1202 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3597 -0.3437 -1.8608 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3001 1.5530 -1.6946 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0376 -0.6138 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3195 -0.1519 -0.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3722 -1.3716 2.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 -1.7059 3.1250 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6686 -0.0134 1.6560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5866 -0.5613 0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9347 -2.8932 0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6051 -3.1074 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0108 -0.3122 2.4895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8996 -1.6014 2.9121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6954 -0.2344 0.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6117 -1.4354 0.9106 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1300 1.3675 2.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9763 0.0368 2.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8682 0.6970 -0.8245 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8919 0.8200 0.7089 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9874 2.9983 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 3.2447 -1.5727 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1173 4.1882 1.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2722 2.6595 2.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.0366 2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 2.3969 3.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0928 3.7462 2.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9288 2.2549 2.5729 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3706 2.8713 0.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6863 3.0239 -0.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5935 1.0767 -1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3194 0.5958 0.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1443 -0.0107 1.7458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1715 -0.8923 0.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9320 0.6166 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8343 1.6068 0.8874 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4748 -0.4356 2.1518 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4979 -1.3896 0.6577 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7751 -0.7513 1.4548 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3383 0.9609 1.4562 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2005 0.9759 -1.0316 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7432 0.3842 -0.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4820 -1.3916 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9370 -0.8489 -2.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9346 -2.6747 0.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1921 -3.0917 -1.5467 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2426 -2.9789 -0.2478 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9275 -1.2152 0.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9369 -0.7191 -2.3175 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2751 -2.4977 -2.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3894 -1.1705 -2.6932 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3090 -2.4425 -1.4254 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9755 -0.7031 -0.9541 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 1 0 9 11 1 0 11 12 2 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 25 27 1 0 27 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 6 10 61 1 0 11 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 16 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 19 72 1 0 19 73 1 0 20 74 1 0 20 75 1 0 24 76 1 0 24 77 1 0 25 78 1 6 26 79 1 0 27 80 1 0 27 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 41102 1 0 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 M END