HMDB0268036 RDKit 3D PA(i-19:0/20:3(5Z,8Z,14Z)-O(11S,12R)) 127127 0 0 0 0 0 0 0 0999 V2000 11.0351 1.0122 1.6008 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7912 0.1665 0.5990 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7602 -1.2914 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4746 -2.1734 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9051 -2.1684 -1.4238 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5121 -2.6184 -1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5199 -1.9204 -1.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6140 -0.5789 -2.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0597 -0.5641 -3.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6412 -0.9837 -3.8191 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9558 0.3036 -4.3045 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6245 1.5319 -3.5041 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 2.2988 -4.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4069 2.5141 -3.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2543 2.0314 -1.9065 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0348 1.1525 -1.8425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0618 -0.1328 -1.5320 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2575 -0.8833 -1.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3910 -1.4450 0.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2921 -2.3204 0.5964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9981 -1.6614 0.8422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9919 -2.4222 0.9482 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8161 -0.3106 0.9692 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5520 0.2980 1.2400 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0855 1.1774 0.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1714 1.7266 0.4027 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3431 1.0588 0.6264 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3366 -0.1872 0.5809 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6639 1.7201 0.9278 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 1.9301 2.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8510 0.7461 3.2329 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 -0.2916 3.2317 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2149 -1.0723 2.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2474 -2.1408 2.3963 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4863 -1.6766 2.9815 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3984 -0.7267 2.3714 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0908 -1.0192 1.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3102 -1.2042 -0.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0820 -1.6010 -1.3311 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 -0.8372 -1.9095 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4111 -0.6583 -1.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4467 0.1553 -1.9365 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6445 0.2779 -1.0431 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7848 1.0496 -1.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3035 0.4232 -2.9246 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3657 2.4576 -1.9061 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6559 1.0817 2.5391 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4915 1.7248 2.8886 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6523 2.5762 4.3422 P 0 0 0 0 0 5 0 0 0 0 0 0 0.1207 3.9741 4.1389 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2727 1.8647 5.5697 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2691 2.6733 4.7713 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3210 2.0864 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9528 0.8724 1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 0.6957 2.6125 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4211 0.3119 -0.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8644 0.4792 0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7003 -1.6532 1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2221 -1.3771 1.9733 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5278 -1.7854 -0.1200 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5819 -3.2158 0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1377 -1.2464 -1.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5009 -2.9686 -1.9633 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3277 -3.6455 -1.0296 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 -2.3743 -1.8544 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6305 -0.1535 -2.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0527 0.1133 -1.8163 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6018 -1.1925 -4.6148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8103 0.4194 -5.4100 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6218 1.3450 -2.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5222 2.2261 -3.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 2.7048 -5.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5448 3.0912 -3.6777 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9840 2.9552 -1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1198 1.6272 -1.4166 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0467 1.5926 -2.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0891 -0.6527 -1.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3311 -1.7631 -1.9638 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1819 -0.3021 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3914 -1.9670 0.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4438 -0.5871 0.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6076 -2.7488 1.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1645 -3.2367 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7810 -0.4791 1.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 2.0194 -0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0366 0.5993 -0.8406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 2.7562 0.4606 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4321 1.1419 0.4170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7675 2.5971 2.5726 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0239 2.6112 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7399 1.1136 4.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7910 0.2802 3.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5143 -1.0773 4.0045 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7821 0.1137 3.7646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6204 -0.5219 1.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3366 -1.6406 1.6855 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6904 -2.7307 3.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2989 -2.8670 1.5908 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2879 -1.3891 4.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1149 -2.6332 3.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2609 -0.5646 3.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9711 0.3152 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6763 -0.0249 0.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8531 -1.8181 1.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7812 -0.2172 -0.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4288 -1.8887 -0.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2966 -1.7153 -2.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4213 -2.6898 -1.2532 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4941 -1.4129 -2.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8273 0.1378 -2.3840 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4128 -0.2167 -0.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8889 -1.6739 -1.0250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6579 -0.2918 -2.9042 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0032 1.1608 -2.0714 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0426 -0.7207 -0.7300 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3941 0.7936 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6476 1.0311 -0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6542 0.6347 -3.7992 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2947 0.9142 -3.1251 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5260 -0.6527 -2.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4165 2.7222 -2.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0217 3.1483 -1.3166 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3472 2.6154 -1.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0576 0.4480 3.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 1.8942 2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2872 1.5153 6.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5235 1.9750 5.4319 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 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 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 44 45 1 0 44 46 1 0 24 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 11 9 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 7 65 1 0 8 66 1 0 8 67 1 0 9 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 15 74 1 0 15 75 1 0 16 76 1 0 17 77 1 0 18 78 1 0 18 79 1 0 19 80 1 0 19 81 1 0 20 82 1 0 20 83 1 0 24 84 1 1 25 85 1 0 25 86 1 0 29 87 1 0 29 88 1 0 30 89 1 0 30 90 1 0 31 91 1 0 31 92 1 0 32 93 1 0 32 94 1 0 33 95 1 0 33 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 38105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 45118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 46123 1 0 47124 1 0 47125 1 0 51126 1 0 52127 1 0 M END