HMDB0271528 RDKit 3D PG(i-16:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12)) 127126 0 0 0 0 0 0 0 0999 V2000 -13.4021 4.7018 -0.9349 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4081 3.3550 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6591 2.2188 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9008 1.1984 -1.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5851 0.9189 -0.8381 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8940 1.8324 0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5049 1.5851 1.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7034 0.3145 1.9794 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2919 -0.1989 2.3169 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3029 -1.3864 3.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6195 0.9250 3.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6978 1.6489 2.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0216 2.7613 2.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1353 3.4485 2.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 3.2207 0.9397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2605 2.9446 0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7863 1.8077 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5272 0.6534 -0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1815 0.3354 -1.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7376 0.0590 -1.6636 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3053 -1.1225 -0.8901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0803 -1.8648 -0.2781 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9530 -1.4664 -0.8108 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4793 -2.5435 -0.1076 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5043 -2.0983 0.9493 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6377 -1.4443 0.4573 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -0.2448 -0.1999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6171 0.4077 -0.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 0.3124 -0.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 -0.5564 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4029 0.0202 -0.6634 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5534 -0.7971 -0.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8766 -0.2665 -0.6712 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0793 1.1587 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1422 1.4186 1.1941 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3121 2.8805 1.4278 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4606 3.5968 0.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8555 3.3228 1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3963 1.9824 0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8558 1.7869 1.3509 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8350 2.6418 0.6558 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8248 2.5101 -0.8451 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9309 4.0705 1.0867 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2540 -3.5617 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5728 -4.0814 -1.9594 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3413 -5.1909 -2.8503 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7355 -4.6402 -3.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3856 -5.3059 -4.3940 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3720 -6.7208 -2.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -7.0483 -1.5275 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6101 -8.4650 -0.9880 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7519 -8.8556 -0.3309 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2911 -9.3384 -2.1971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8738 -8.8954 -2.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2251 5.4639 -0.1212 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6237 4.7648 -1.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4282 4.8763 -1.3266 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3914 3.4485 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6602 3.3101 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6772 2.2615 -1.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3513 0.4542 -2.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8583 0.7273 -1.7350 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5561 -0.1250 -0.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6238 2.8533 -0.3257 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9843 2.3960 1.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1072 0.6048 3.0054 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3337 -0.4281 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7691 -0.4191 1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1832 -2.1800 2.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8661 1.1570 4.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5279 1.3245 1.3317 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2709 2.9908 4.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6429 4.2815 2.8684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8617 4.2331 0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2666 2.4978 0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5549 3.7257 1.2631 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6735 1.7226 0.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2711 -0.2179 0.5594 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6354 0.7331 -0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5506 1.1236 -2.2109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7333 -0.6199 -1.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4748 -0.1765 -2.7366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1378 0.9556 -1.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2885 -3.1320 0.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 -1.3926 1.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -2.9644 1.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1186 1.3618 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0168 0.3627 -1.7839 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9992 -1.6028 -0.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0878 -0.5448 0.9765 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4312 1.0612 -0.2311 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3795 0.0368 -1.7664 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5565 -0.6922 0.9735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 -1.8567 -0.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6742 -0.9054 -0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8622 -0.3115 -1.7789 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9792 1.5297 -0.8195 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 1.7756 -0.7307 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0733 1.1966 1.5692 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7651 0.7673 1.7738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3835 3.3555 0.9388 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2142 3.1235 2.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2393 4.7153 1.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3504 3.5695 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9544 3.5732 2.3252 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4957 4.0896 0.6933 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1780 1.5709 -0.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8744 1.2763 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0618 0.7098 1.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9101 2.0445 2.4497 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8586 2.1938 0.9451 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8336 2.4093 -1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2144 1.6713 -1.2048 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3956 3.4498 -1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6832 4.7971 0.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4034 4.3087 2.0348 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0084 4.3591 1.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4936 -4.4247 -0.2976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -3.1755 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -4.3789 -4.7677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6192 -7.0512 -2.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0545 -6.3345 -0.7221 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2660 -8.4819 -0.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5704 -8.8637 0.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1093 -9.2956 -2.9509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1377 -10.3684 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8932 -9.2168 -3.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 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 9 11 1 0 11 12 2 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 41 43 1 0 24 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 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 10 69 1 0 11 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 42112 1 0 42113 1 0 42114 1 0 43115 1 0 43116 1 0 43117 1 0 44118 1 0 44119 1 0 48120 1 0 50121 1 0 50122 1 0 51123 1 1 52124 1 0 53125 1 0 53126 1 0 54127 1 0 M END