HMDB0287265 RDKit 3D PC(20:3(5Z,8Z,11Z)/20:4(5Z,7E,11Z,14Z)-OH(9)) 141140 0 0 0 0 0 0 0 0999 V2000 -0.8747 -5.9282 -0.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1162 -6.7221 -1.1883 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 -7.1990 -2.3347 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 -7.9640 -3.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8435 -8.4644 -4.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4079 -7.3212 -5.2384 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6662 -7.1593 -5.4819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7145 -8.1151 -5.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3905 -8.5308 -6.3401 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6608 -8.3396 -6.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5968 -7.7156 -5.6051 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2194 -6.4652 -6.2766 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9056 -6.7917 -7.4348 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1162 -5.7992 -5.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6601 -4.8931 -4.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2710 -4.4767 -4.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8509 -3.5526 -3.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4762 -3.0399 -3.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 -1.5122 -3.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0329 -1.0213 -3.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9675 0.4897 -3.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9585 1.1052 -3.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8320 1.1052 -3.0698 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5068 2.4111 -2.9833 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2671 2.8518 -3.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1482 4.0410 -3.1593 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2126 4.8571 -3.5078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8684 4.5156 -4.5382 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5512 6.0314 -2.7094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6841 7.3666 -3.3379 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1285 8.3349 -2.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0742 8.1625 -1.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3433 7.6623 0.0801 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6355 7.2171 0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8633 7.8947 1.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9977 7.1119 2.9909 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9302 5.6259 2.9011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1978 5.0868 3.4155 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3166 4.1905 4.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1687 3.5741 5.0177 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0596 3.7359 6.5044 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2381 3.1998 7.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1653 3.2499 8.7017 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2111 2.4113 9.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7692 2.4451 9.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0192 3.7164 9.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 3.4066 9.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4226 2.8149 -1.5057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4732 2.0498 -0.9004 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3646 2.3929 0.7688 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7757 2.5121 1.3118 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4804 3.8385 0.9177 O 0 0 0 0 0 1 0 0 0 0 0 0 0.4545 1.1521 1.5752 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6216 0.8078 0.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3606 -0.3073 1.5354 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5745 -0.6720 0.8105 N 0 0 0 0 0 4 0 0 0 0 0 0 3.1674 -1.2141 -0.4694 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3013 -1.6942 1.5422 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4427 0.4514 0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9584 -5.9999 -0.3938 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5644 -4.8613 -0.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7540 -6.3276 0.8776 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4481 -7.5233 -0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6885 -6.0200 -1.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4553 -6.3278 -2.8031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -7.8561 -1.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2851 -8.8648 -2.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7284 -7.3208 -3.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -8.8540 -5.1825 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4497 -9.3211 -4.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6596 -6.5696 -5.5826 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9835 -6.2406 -6.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4422 -7.6943 -4.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2523 -9.0522 -4.6481 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7852 -9.0187 -7.1445 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0412 -8.6958 -7.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4827 -8.4295 -5.5412 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2354 -7.4667 -4.6235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4476 -5.7278 -6.5587 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6999 -7.3285 -7.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1675 -6.0510 -5.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3376 -4.4283 -3.6980 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4903 -4.8461 -5.0575 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6412 -3.1760 -2.8517 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1329 -3.2390 -2.3556 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7444 -3.5321 -4.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1330 -1.0813 -2.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7861 -1.3443 -4.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5435 -1.4120 -2.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4561 -1.3652 -4.3195 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3408 3.0949 -3.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5205 2.0638 -3.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6114 3.0436 -4.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5588 5.8156 -2.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8760 6.0805 -1.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6967 7.7559 -3.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4679 7.4827 -4.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1072 7.9810 -1.9031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1310 9.3569 -2.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 8.4514 -1.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4734 7.5724 0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4613 7.6981 -0.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8533 6.1693 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9245 8.9499 2.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1510 7.5795 3.9508 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5987 5.1937 1.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0726 5.3914 3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1261 5.4839 2.9399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 3.8863 4.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1952 3.7383 4.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3420 2.4337 4.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1237 3.2775 6.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0601 4.8515 6.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1589 3.8035 6.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5255 2.1640 6.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1218 4.3366 8.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2074 2.9583 9.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5334 1.3259 9.3011 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3739 2.5333 10.5632 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 1.8755 8.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3449 1.7534 10.0565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 4.5569 8.7482 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9949 4.1008 10.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 4.2998 8.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4984 2.6830 8.2217 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9680 2.9091 9.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3986 2.6783 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1843 3.9084 -1.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 1.7255 0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4261 0.5852 -0.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7138 -1.2294 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5794 -0.0922 2.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2438 -0.3842 -1.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 -2.0435 -0.7874 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1000 -1.5374 -0.3421 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2110 -1.5057 2.6518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8788 -2.7021 1.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3719 -1.6096 1.2947 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4792 0.0895 0.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5184 1.1110 1.4903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 0.9953 -0.2773 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 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 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 2 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 24 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 56 59 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 7 72 1 0 8 73 1 0 8 74 1 0 9 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 13 80 1 0 14 81 1 0 15 82 1 0 16 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 19 87 1 0 19 88 1 0 20 89 1 0 20 90 1 0 24 91 1 6 25 92 1 0 25 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 39109 1 0 40110 1 0 40111 1 0 41112 1 0 41113 1 0 42114 1 0 42115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 45120 1 0 45121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 57133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 58138 1 0 59139 1 0 59140 1 0 59141 1 0 M CHG 2 52 -1 56 1 M END