HMDB0270581 RDKit 3D PG(18:2(10E,12Z)+=O(9)/a-13:0) 116115 0 0 0 0 0 0 0 0999 V2000 14.1382 0.8232 0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6403 2.2191 1.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9535 2.8818 0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6439 2.6092 -0.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2403 1.2699 -0.9687 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9680 0.3309 0.1012 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7707 -0.2315 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6771 0.0558 -0.6540 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4742 -0.5316 -0.4717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3943 -0.2276 -1.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5749 0.5628 -2.3434 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 -0.8468 -1.1931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1739 0.0017 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9676 1.3823 -0.8705 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2904 1.4342 -2.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9154 0.9905 -2.3807 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7740 1.6415 -1.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6649 1.5907 -0.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 0.1676 0.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -0.0167 1.4567 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3056 -0.9009 -0.6199 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -2.2072 -0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2028 -2.2287 0.6736 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4284 -3.5696 1.3090 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3852 -3.8897 2.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6285 -5.3939 2.8595 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.1089 -5.1657 4.2773 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8525 -6.2136 2.8402 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8146 -6.2826 2.0578 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2878 -7.1249 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4011 -7.8871 0.4350 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.8966 -8.7593 -0.5438 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1079 -8.6897 1.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1517 -9.4096 0.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2657 -1.8501 -0.2037 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9642 -0.6703 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6386 0.0489 0.9688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 -0.3144 -0.9532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4784 1.0983 -0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5914 1.6289 -1.4709 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8236 0.8042 -1.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9652 1.2901 -2.1726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3418 2.7074 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7865 2.9930 -0.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1308 4.4669 -0.3475 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5777 4.8321 1.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8779 6.3283 1.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8174 4.0916 1.4835 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9946 4.3549 0.5874 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8090 0.1492 1.7319 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2770 0.8128 0.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8144 0.4158 -0.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5545 2.8196 1.4525 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9954 2.1819 2.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9450 4.0130 0.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7313 2.9720 -0.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3998 3.3716 -1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8361 2.9455 0.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0788 0.8267 -1.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4029 1.4098 -1.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6666 0.0159 0.8487 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5908 -0.9453 1.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6975 0.7201 -1.5008 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3251 -1.2097 0.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5105 -0.9927 -2.1236 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 -1.8393 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1879 -0.5014 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5256 0.0241 0.7457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 2.0875 -0.0814 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0568 1.7227 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4289 2.4711 -2.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9323 0.8094 -2.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -0.1360 -2.2052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7488 1.0217 -3.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5680 2.6812 -2.1510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1604 1.0917 -2.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 2.0636 0.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4822 2.0071 0.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9657 -2.4415 0.5282 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0719 -2.9353 -0.9526 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1590 -1.4670 1.4669 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 -3.4841 1.9458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6291 -4.3781 0.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9806 -6.7158 1.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6475 -6.5950 0.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6353 -7.8927 1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1166 -7.1774 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2781 -8.5234 -1.4358 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4047 -9.4135 1.9965 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4972 -8.0077 2.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9537 -8.8770 0.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8850 -1.0461 -0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6591 -0.4201 -1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8209 1.0459 0.4706 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5789 1.7351 -0.6326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2310 1.6018 -2.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7456 2.6907 -1.1497 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5816 -0.2262 -1.6792 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1039 0.7071 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7639 1.0500 -3.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8551 0.6616 -1.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5814 3.4371 -2.2667 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2418 2.9102 -2.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7198 2.4497 -0.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0178 2.6897 0.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1685 5.0134 -0.5241 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8179 4.8006 -1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7672 4.6115 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9557 6.8351 0.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6765 6.5114 0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1104 6.7078 2.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6403 3.0175 1.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0810 4.5450 2.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4709 5.3509 0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7308 4.4179 -0.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7863 3.6066 0.7886 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 33 34 1 0 23 35 1 0 35 36 1 0 36 37 2 0 36 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 46 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 9 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 13 68 1 0 14 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 16 73 1 0 16 74 1 0 17 75 1 0 17 76 1 0 18 77 1 0 18 78 1 0 22 79 1 0 22 80 1 0 23 81 1 1 24 82 1 0 24 83 1 0 28 84 1 0 30 85 1 0 30 86 1 0 31 87 1 6 32 88 1 0 33 89 1 0 33 90 1 0 34 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 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 43102 1 0 43103 1 0 44104 1 0 44105 1 0 45106 1 0 45107 1 0 46108 1 0 47109 1 0 47110 1 0 47111 1 0 48112 1 0 48113 1 0 49114 1 0 49115 1 0 49116 1 0 M END