HMDB0009318 RDKit 3D PE(20:3(5Z,8Z,11Z)/15:0) 124123 0 0 0 0 0 0 0 0999 V2000 16.7683 0.6046 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9800 -0.5218 1.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3943 -1.8443 1.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9955 -2.1699 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9704 -1.8097 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6742 -0.3992 -0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5075 -0.1773 -1.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1930 -0.7291 -0.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7866 -0.2140 0.5714 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7949 0.5189 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7255 1.0987 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7563 0.9166 -1.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8051 0.3154 -1.9666 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5574 -0.2739 -1.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4371 0.4388 -2.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5487 1.1171 -1.3980 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5471 1.2582 0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2408 0.7395 0.6799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0923 1.5575 0.1645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8174 1.0602 0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7697 0.0279 1.4930 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3462 1.7906 0.5565 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5846 1.4578 1.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1605 0.1392 0.6015 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4238 0.1763 -0.9006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3292 1.1903 -1.2077 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6501 1.2813 -2.8478 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3148 -0.0102 -3.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1913 1.4239 -3.6634 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 2.5951 -3.1686 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9541 3.2980 -1.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8578 4.4704 -2.1880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0445 5.0870 -0.8844 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4087 -0.1023 1.2191 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7062 -1.2036 1.9989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -2.0654 2.1673 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0523 -1.3729 2.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0434 -0.3505 2.1703 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3528 -0.3898 0.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9489 -1.7215 0.2905 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2302 -2.0386 1.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2907 -0.9931 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6663 -0.9193 -0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2582 -2.1741 -1.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5639 -2.6202 -0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7894 -1.8974 -1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0575 -0.5032 -0.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0876 -0.0457 0.6568 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1633 -0.7672 1.4517 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5355 -0.5380 0.9064 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6163 1.3648 0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8703 1.2253 0.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8503 0.2938 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1301 -0.6777 1.2955 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8024 -0.2087 2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8773 -2.5349 1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8582 -2.2615 0.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9297 -3.3429 1.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5632 -1.9506 2.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1903 -2.2948 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9984 -2.3575 0.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5363 -0.0196 -0.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6640 0.2837 0.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3817 0.9118 -1.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7863 -0.6637 -2.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4812 -0.6393 -1.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3342 -1.8739 -0.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4768 -0.5200 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7551 0.7410 2.0552 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7366 0.8003 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7187 2.2355 0.3286 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5877 1.3242 -1.9333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8912 0.2074 -3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5246 -0.4028 -0.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5745 -1.3510 -1.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3632 0.3839 -3.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7146 1.6459 -1.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4020 0.9027 0.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5008 2.3752 0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0933 -0.3327 0.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2580 0.8177 1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9574 1.4929 -0.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2371 2.6369 0.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3042 2.2890 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 1.4448 2.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4520 -0.6608 0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8476 -0.7713 -1.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4973 0.3721 -1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6309 2.0983 -3.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4632 2.5471 -1.3221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0070 3.5654 -1.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5087 5.1549 -2.9636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8698 4.1049 -2.5306 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4303 5.9162 -0.7472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 4.4149 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4194 -2.4162 2.5061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9134 -1.2189 3.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5591 0.6574 2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9284 -0.3807 2.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0339 0.4104 0.4446 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4276 -0.2616 0.1149 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2045 -2.5445 0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1568 -1.6681 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0391 -2.0700 2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5378 -3.0635 0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8742 -0.0120 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1618 -1.1312 1.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3275 -0.0128 -0.8008 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7603 -0.6294 -1.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3103 -2.1971 -2.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5100 -2.9993 -1.0322 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7152 -3.6803 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5222 -2.8410 0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6400 -2.4985 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0835 -2.0846 -2.1694 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5433 0.2448 -1.4270 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1555 -0.3288 -1.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4558 1.0368 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1609 -0.1105 1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0949 -0.3716 2.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9369 -1.8566 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5089 0.3478 0.2257 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2123 -0.2835 1.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9754 -1.4335 0.4176 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 1 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 27 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 24 34 1 0 34 35 1 0 35 36 2 0 35 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 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 16 77 1 0 17 78 1 0 17 79 1 0 18 80 1 0 18 81 1 0 19 82 1 0 19 83 1 0 23 84 1 0 23 85 1 0 24 86 1 6 25 87 1 0 25 88 1 0 29 89 1 0 31 90 1 0 31 91 1 0 32 92 1 0 32 93 1 0 33 94 1 0 33 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 46115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 50124 1 0 M END