HMDB0294398 RDKit 3D DG(20:3(5Z,8Z,11Z)-O(14R,15S)/10:0/0:0) 95 95 0 0 0 0 0 0 0 0999 V2000 10.0345 -3.3144 0.2865 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7153 -2.1530 -0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6225 -0.8574 0.2677 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5481 0.0645 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2138 -0.0542 0.9688 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1011 -0.6227 0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1226 -1.9851 -0.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9224 -2.4395 -1.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6143 -2.5211 -0.4537 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0691 -1.2605 0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6592 -1.1057 1.2347 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9368 -0.1168 -0.7576 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4025 1.0971 -0.3186 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2878 2.2858 -0.3757 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4114 2.1426 0.4215 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0500 1.3839 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 2.6136 -0.5113 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 2.9467 0.7878 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4981 2.1487 1.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8232 4.3022 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0043 4.8308 0.0067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2896 4.0298 -0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0664 4.0714 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5312 3.1126 1.7241 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4627 1.6803 1.5559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7927 1.0372 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 0.3006 -0.4934 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6984 -0.0708 -0.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7517 0.4073 0.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 -0.3729 0.8431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5030 -1.8399 0.9215 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8346 -2.3867 0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3174 -2.1545 -0.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9793 -1.4395 0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3676 -1.9072 0.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4151 -0.8882 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5249 -0.5940 -1.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8805 -1.8091 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2049 -2.4094 -1.5918 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7753 -4.1117 0.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 -3.0047 1.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3472 -3.8221 -0.4128 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4003 -2.1346 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8064 -2.4594 -0.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4874 -0.2206 -0.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1570 -0.9360 1.3269 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4499 0.6511 -0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0553 0.9961 0.9917 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2361 -0.6256 1.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8819 0.9907 1.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1636 -0.4507 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8252 0.1180 -0.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3260 -2.7200 0.4998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9672 -2.0446 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2290 -3.4410 -1.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -1.7604 -2.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8740 -3.0297 -1.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6534 -3.2581 0.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1585 0.9262 0.7770 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6251 2.5431 -1.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7085 3.1443 0.0664 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 1.9505 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3602 0.5686 -0.6608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1334 1.4376 -2.0601 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 4.3070 2.0677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7506 4.9344 1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5711 4.8787 -0.9460 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3728 5.8660 0.2723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 3.0633 -0.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8245 4.6092 -1.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2974 5.1150 1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1053 3.4260 2.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8079 1.3552 2.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4156 1.1874 1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6844 1.1207 0.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5469 -0.0889 -1.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9594 0.1488 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7295 -1.2077 -0.7538 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9332 1.5015 0.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2937 0.1219 1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4826 -2.0750 2.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6497 -2.3531 0.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1379 -3.3830 0.8844 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7998 -0.3655 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5777 -2.9151 0.2425 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3207 -1.9848 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3774 -1.1228 0.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0706 0.0798 0.7657 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6455 -0.1112 -1.5955 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3765 0.1212 -1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0657 -2.5699 -2.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9898 -1.4652 -3.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0118 -2.1662 -2.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1855 -3.5159 -1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5623 -1.9713 -0.6438 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 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 13 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 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 34 32 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 9 58 1 0 13 59 1 1 14 60 1 0 14 61 1 0 15 62 1 0 16 63 1 0 16 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 21 68 1 0 22 69 1 0 22 70 1 0 23 71 1 0 24 72 1 0 25 73 1 0 25 74 1 0 26 75 1 0 27 76 1 0 28 77 1 0 28 78 1 0 29 79 1 0 30 80 1 0 31 81 1 0 31 82 1 0 32 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 39 95 1 0 M END