HMDB0300383 RDKit 3D DG(20:3(5Z,8Z,14Z)-O(11S,12R)/i-22:0/0:0) 131131 0 0 0 0 0 0 0 0999 V2000 18.5690 2.2679 -0.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9992 2.8444 -1.9592 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7176 2.3268 -2.4363 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4829 2.4553 -1.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3217 1.7910 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4119 0.3429 -0.3510 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5395 -0.5710 -0.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1744 -0.3731 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5295 0.9457 0.3908 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3701 1.6989 -0.7743 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2059 1.0470 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1426 1.8434 0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8461 1.2050 1.6271 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6768 0.7203 1.9991 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4793 0.7630 1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 1.5546 1.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2760 1.0920 2.0893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8723 -0.2906 1.7816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5134 -1.0622 3.0269 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 -2.4786 2.8349 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9591 -2.7450 1.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -3.9398 1.8161 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2901 -1.7507 1.3474 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1636 -1.9205 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4847 -2.8064 -0.6775 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5102 -2.1011 -1.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0180 -0.8402 -1.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2846 -2.8913 -1.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3234 -4.1187 -1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2545 -5.1192 -1.1406 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5451 -4.3244 -2.4911 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7604 -4.1864 -1.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7703 -2.8085 -1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -2.5315 -0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2182 -2.7116 -0.8754 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4046 -2.4009 0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7059 -2.6086 -0.7257 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8157 -1.7485 -1.9372 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7768 -0.2796 -1.6998 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9603 0.1282 -0.7995 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8449 1.6013 -0.6349 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8539 2.2413 0.1970 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2507 2.2434 -0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0177 0.9902 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1182 0.1469 0.8026 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8760 0.6380 1.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3288 0.7512 1.9288 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1144 1.5378 1.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9467 3.0041 0.9021 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2246 3.7306 2.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0943 3.4787 -0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7208 2.1856 -0.8485 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4042 2.9370 0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2889 1.2553 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7542 2.6715 -2.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8941 3.9710 -1.8626 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5639 2.7416 -3.5012 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9019 1.2169 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6265 2.1296 -2.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2495 3.5694 -1.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5491 2.2719 0.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2676 2.1243 0.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4078 -0.0691 -0.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8377 -1.6632 -0.1247 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0798 -0.8133 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4764 -1.0965 -0.2066 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5974 1.5590 1.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8480 0.1726 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5575 2.8943 0.5344 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3005 2.0146 -0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6470 1.1021 2.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5709 0.2743 2.9811 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7119 1.1500 0.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2270 -0.3126 0.9400 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7153 2.6048 2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 1.7343 2.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4536 -0.8498 1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8605 -0.1525 1.2493 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6408 -0.5571 3.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3231 -1.0297 3.7875 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9743 -3.0981 2.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9553 -2.9064 3.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8376 -0.9173 0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 -2.3243 1.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7926 -3.8226 -0.3515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -2.6609 -2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4216 -1.9583 -0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2476 -0.8738 -2.4536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6047 -3.6440 -3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5554 -5.3951 -2.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5695 -4.8879 -0.7345 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6768 -4.5085 -2.0828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8267 -2.0554 -1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8059 -2.5548 -0.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8418 -1.5329 0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8629 -3.2521 0.7348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3289 -3.6989 -1.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1989 -1.9633 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2711 -1.3944 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4006 -3.1128 0.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6952 -3.6649 -1.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5293 -2.5124 -0.0187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0499 -2.0320 -2.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8013 -1.9866 -2.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8453 0.0867 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9479 0.2329 -2.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8332 -0.2935 -1.2476 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8411 -0.3417 0.2053 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8124 2.0977 -1.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8077 1.8432 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5562 3.3447 0.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7324 1.8837 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2765 2.7619 -1.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8230 2.9871 0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7910 0.4308 -1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0904 1.3628 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0706 -0.0773 1.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4779 -0.8677 0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6315 -0.0901 2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3534 1.5713 2.3297 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7324 0.9452 3.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7157 -0.3388 1.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2295 1.4263 1.3651 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2321 1.1132 -0.0301 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0508 3.3639 0.3762 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8225 3.1436 2.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7280 4.7206 2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2522 3.9932 2.6770 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0436 3.0880 0.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0201 4.5640 -0.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8521 2.9881 -1.0207 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 10 11 1 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 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 49 51 1 0 11 9 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 19 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 1 26 86 1 0 26 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END