HMDB0299137 RDKit 3D DG(i-16:0/20:3(5Z,8Z,14Z)-O(11S,12R)/0:0) 113113 0 0 0 0 0 0 0 0999 V2000 -15.8134 1.7944 1.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3125 0.6003 0.3983 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5561 -0.6435 0.7361 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0540 -0.4022 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7820 -0.1224 -0.9459 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4694 0.1564 -1.4843 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3300 0.2334 -0.8953 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0563 0.0525 0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4775 1.2867 1.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3118 1.8667 0.8036 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2555 1.1429 2.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2807 -0.0154 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6130 -0.0606 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2864 0.0002 0.5180 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3547 0.1110 1.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4252 -1.0714 1.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1294 -1.0219 1.6199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 0.2116 1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4019 0.4005 2.6632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4669 -0.7589 2.7958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3505 -0.8918 1.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5083 -0.3588 1.5540 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0370 -1.5705 0.4330 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 -1.6455 -0.6912 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1344 -3.0995 -1.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0385 -3.7582 -1.3474 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 -0.9501 -1.8920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0189 -1.0023 -3.0289 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2754 -0.4004 -3.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 0.1964 -2.0040 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1628 -0.4481 -4.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5414 0.0423 -3.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1374 -0.8758 -2.8229 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5424 -0.4700 -2.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5440 0.9116 -1.8337 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9275 1.3085 -1.3725 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9226 1.2774 -2.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3050 1.6962 -2.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8215 0.7953 -0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2266 1.2166 -0.5234 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6653 0.2712 0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0514 0.6150 1.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4690 -0.3393 2.1442 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4679 -0.2241 3.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8206 0.0582 2.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3756 1.4876 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6471 2.4911 1.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0104 2.3123 0.6327 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2584 0.8668 -0.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4149 0.4739 0.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6065 -0.7861 1.8384 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9074 -1.5222 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6220 -1.4012 0.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8175 0.4183 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1359 -1.0709 -1.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5456 0.6214 -1.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4170 0.3443 -2.6303 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4370 0.4721 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1563 -0.6859 0.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7466 -0.4321 1.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2141 2.0171 1.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1472 1.7773 2.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 0.0742 2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8200 -0.9885 2.0874 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1445 -0.1380 -0.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8113 -0.0370 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7650 0.1891 2.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7872 1.0788 1.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8960 -2.0668 1.8023 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5716 -1.9764 1.6726 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6301 0.1351 0.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 1.0925 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9722 0.4939 3.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8021 1.3252 2.5519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9938 -1.7027 3.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2158 -0.5522 3.6557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7945 -1.1404 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 -3.5488 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8364 -3.0699 -1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8451 -3.1965 -1.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8117 -1.3257 -2.0611 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0701 0.1260 -1.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7394 0.1390 -5.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2778 -1.5213 -4.4883 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 1.1005 -3.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1914 0.0673 -4.7785 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 -1.8874 -3.3365 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5273 -0.9453 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1595 -0.5255 -3.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9027 -1.2324 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8023 0.9569 -1.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1917 1.6678 -2.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8507 2.3372 -0.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2294 0.6416 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9556 0.2166 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5286 1.9396 -3.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9923 1.7693 -2.9080 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1913 2.7378 -1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1632 0.9205 -0.0629 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8826 -0.2538 -1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 1.1087 -1.4248 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2606 2.2737 -0.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6319 -0.7571 0.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9271 0.3705 1.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0421 1.6305 1.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7509 0.5288 0.1932 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5389 -1.3898 1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2046 0.8657 3.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5563 -0.7631 3.0381 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9068 -0.5244 4.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8648 1.1616 2.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9504 -0.4065 3.6924 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6552 -0.2830 2.0608 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 24 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 43 45 1 0 11 9 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 1 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 44108 1 0 44109 1 0 44110 1 0 45111 1 0 45112 1 0 45113 1 0 M END