HMDB0276758 RDKit 3D PI(20:3(8Z,11Z,14Z)-O(5,6)/18:3(6Z,9Z,12Z)) 139140 0 0 0 0 0 0 0 0999 V2000 0.8834 -6.1207 2.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8466 -4.6705 2.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -4.4232 3.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5304 -4.8143 3.3762 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -4.6039 4.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6803 -3.1787 4.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7346 -2.4013 4.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0072 -2.8106 4.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5624 -2.2588 2.8348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0745 -1.3935 2.0098 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7655 -0.7055 2.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0403 -1.0209 0.7563 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7039 -0.0746 -0.0667 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9682 1.3471 0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8412 1.8871 -0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1993 1.7352 -2.3443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8970 2.4482 -2.4723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2852 2.3222 -3.8047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7034 3.0376 -4.7411 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2565 1.4507 -4.1066 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 1.3512 -5.3884 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2866 0.0049 -6.0079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0231 -0.5089 -6.1454 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2609 -1.7419 -6.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3314 -2.4540 -7.1208 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6929 -2.2204 -6.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8255 -3.3612 -5.7894 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 -2.8293 -4.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6081 -3.9745 -3.4242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6734 -5.0569 -3.8164 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4645 -4.3470 -2.6214 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2658 -3.3830 -2.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7965 -3.8976 -1.7575 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2377 -3.2230 -0.7333 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7602 -1.8844 -0.2946 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9148 -0.9534 -0.3396 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3120 -0.3470 0.7234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7329 -0.4596 2.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7990 -0.9544 2.9893 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1986 -0.2759 4.0125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6546 1.0313 4.3846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0332 0.9942 5.7867 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4579 2.3317 6.1699 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5064 3.4117 6.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8505 4.7276 6.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 1.8100 -5.3547 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7868 3.1332 -4.9156 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3548 3.7563 -4.8130 P 0 0 0 0 0 5 0 0 0 0 0 0 3.3516 5.1126 -5.4910 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4749 2.7888 -5.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 3.9833 -3.1881 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0033 3.9485 -2.8348 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3536 5.2945 -2.2305 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7659 5.3632 -2.2183 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8917 5.4523 -0.8233 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3606 6.7439 -0.6917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 4.4914 -0.3688 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8005 4.5466 1.0272 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1284 3.0662 -0.7433 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0035 2.4900 -1.3455 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2759 2.9428 -1.7120 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4574 1.6703 -2.1731 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7318 -6.7468 3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8965 -6.3012 1.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1200 -6.2860 1.6558 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5867 -4.0884 1.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8476 -4.3471 3.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1242 -3.3938 4.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0558 -5.0822 4.7948 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7925 -4.1394 2.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4908 -5.8562 3.0449 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5568 -4.9946 3.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 -5.2319 5.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7824 -2.6931 5.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6145 -1.3378 4.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7770 -2.5193 4.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1204 -3.9397 4.0086 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5922 -2.6344 2.5514 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 -1.0790 1.1080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1101 -1.1985 2.8012 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8370 0.3489 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8364 -2.0721 0.5815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1763 -0.3815 -0.9979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5029 1.6194 1.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0232 1.9633 0.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9960 2.9773 -0.7631 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8124 1.4011 -0.9150 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0992 0.6251 -2.5157 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9558 2.0572 -3.0897 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 1.9831 -1.7227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0236 3.4952 -2.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2045 2.0676 -6.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6653 0.1351 -7.0643 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9804 -0.7257 -5.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8068 -2.6140 -7.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3767 -1.3974 -6.6117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8583 -3.7574 -5.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0605 -4.1265 -6.0256 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2210 -2.0259 -4.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5013 -2.3731 -4.3851 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5980 -4.3554 -3.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 -4.9578 -1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1135 -3.3442 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6863 -2.4115 -2.3797 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2237 -4.8662 -1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 -3.6633 -0.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3549 -2.0410 0.7150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0226 -1.5010 -0.9839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4242 -0.7899 -1.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1734 0.3344 0.6391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9062 -1.1788 2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3656 0.5618 2.3216 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2487 -1.9368 2.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9932 -0.6710 4.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5782 1.6883 4.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9362 1.5126 3.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2043 0.2554 5.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8269 0.6691 6.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6913 2.6511 5.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9067 2.2764 7.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9370 3.4895 5.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2926 3.1428 6.8983 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5604 5.2653 7.2141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8715 4.5169 7.0540 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6891 5.3336 5.6447 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4108 1.1404 -4.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1039 1.8251 -6.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0458 3.2532 -6.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6979 3.7807 -3.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0360 6.1331 -2.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0101 5.9941 -1.4745 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7414 5.4087 -0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4446 6.7417 -0.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7995 4.7906 -0.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0319 4.1022 1.4186 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3743 2.4346 0.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3497 1.7124 -1.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1983 3.2591 -1.1808 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 1.4064 -2.1993 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 2 0 13 14 1 0 14 15 1 0 15 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 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 21 46 1 0 46 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 48 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 31 29 1 0 61 52 1 0 1 63 1 0 1 64 1 0 1 65 1 0 2 66 1 0 2 67 1 0 3 68 1 0 3 69 1 0 4 70 1 0 4 71 1 0 5 72 1 0 5 73 1 0 6 74 1 0 7 75 1 0 8 76 1 0 8 77 1 0 9 78 1 0 10 79 1 0 11 80 1 0 11 81 1 0 12 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 21 92 1 6 22 93 1 0 22 94 1 0 26 95 1 0 26 96 1 0 27 97 1 0 27 98 1 0 28 99 1 0 28100 1 0 29101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 34106 1 0 35107 1 0 35108 1 0 36109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 44121 1 0 44122 1 0 45123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 50128 1 0 52129 1 6 53130 1 6 54131 1 0 55132 1 1 56133 1 0 57134 1 6 58135 1 0 59136 1 1 60137 1 0 61138 1 1 62139 1 0 M END