HMDB0008652 RDKit 3D PC(22:4(7Z,10Z,13Z,16Z)/P-16:0) 139138 0 0 0 0 0 0 0 0999 V2000 3.1870 8.8057 0.3518 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8490 8.4249 -0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7046 6.9425 -0.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7145 6.2658 -1.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 6.7700 -2.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3485 6.5001 -3.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9942 5.7388 -4.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0557 5.0175 -4.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9826 5.3952 -6.3743 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7866 4.5704 -7.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6021 3.1515 -7.3336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7047 2.3114 -6.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6924 1.6414 -5.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7021 1.6196 -6.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0312 0.2084 -6.5483 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0316 -0.3856 -5.9387 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 0.1978 -4.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7274 -0.5905 -3.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5891 -0.0285 -2.5307 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3355 -0.8281 -1.2544 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1806 -0.2640 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9677 -0.9613 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5828 -0.4651 2.1388 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1847 -2.0536 1.3688 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8880 -2.7611 2.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 -2.1335 3.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5576 -0.9625 4.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7824 -1.1369 4.9446 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0905 0.3932 5.6665 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.5037 0.3538 6.1849 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0565 0.6745 6.9591 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.8763 1.6081 4.5050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8424 2.5932 4.5779 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6392 3.6604 3.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3850 4.3411 3.6102 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.5872 3.9770 4.7429 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6200 3.9582 2.4116 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5734 5.7802 3.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8010 -1.7737 2.9481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2136 -1.1527 3.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4380 -1.1899 3.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6687 -1.9243 1.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1116 -0.9707 0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 -1.5048 -0.5656 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3801 -2.4851 -0.8494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4740 -3.9077 -0.4906 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4412 -4.8086 -1.0250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0809 -4.9265 -0.4972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8444 -5.7797 0.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5747 -5.5127 1.9354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1782 -6.6000 2.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 -6.3667 4.2690 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6553 -5.0494 4.9183 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2015 -4.8416 5.2630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3429 -5.8656 6.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6275 7.9121 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0773 9.5779 1.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8487 9.1754 -0.4333 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 8.7534 0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6930 8.8998 -1.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8385 6.5276 0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6542 6.6826 -0.6202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4443 5.1792 -1.2473 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7070 6.3385 -0.7725 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5481 6.3353 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9021 7.8920 -2.6522 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 7.0261 -2.6151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0421 5.6229 -4.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9850 3.9704 -4.6872 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0928 5.3120 -4.5971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1154 6.5062 -6.5866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7608 5.0804 -8.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6878 2.8358 -7.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 2.7064 -8.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6902 2.1520 -5.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8612 1.0155 -4.7859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8752 2.2125 -7.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3403 1.9674 -5.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4395 -0.3332 -7.3016 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2344 -1.4383 -6.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9394 1.2624 -4.7924 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9771 -0.0709 -5.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6496 -0.6093 -3.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 -1.6264 -3.8727 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6520 -0.1996 -2.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4575 1.0422 -2.3785 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7194 -1.8496 -1.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 -0.9004 -0.9931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8407 0.7912 0.0363 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2559 -0.3203 -0.3478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8256 -3.1418 3.0368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 -3.7271 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7954 -2.9129 4.3569 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4908 -0.0534 3.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8435 -0.7543 5.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9240 3.0180 5.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8236 2.1127 4.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8132 3.1849 2.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4514 4.4069 3.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 3.0314 4.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7864 4.7647 4.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1331 3.9857 5.7004 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8650 4.7363 2.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 3.8553 1.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1014 3.0175 2.6006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6311 6.0957 2.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6990 6.3085 4.0705 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4610 6.0287 4.2159 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0901 -0.6200 4.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2692 -0.7220 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 -2.6075 2.0718 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7552 -2.4579 1.5327 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3198 -0.1468 0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 -0.3567 1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6181 -0.5876 -1.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3632 -1.7914 -1.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4755 -2.5042 -2.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4357 -1.9930 -0.6294 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6960 -4.0164 0.5958 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4633 -4.2772 -0.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8789 -5.8663 -1.0783 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3871 -4.5728 -2.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4471 -5.3760 -1.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5807 -3.9221 -0.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0954 -6.8523 0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2645 -5.7996 0.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3517 -4.5490 2.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6628 -5.6522 1.8285 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0909 -6.5104 3.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4009 -7.5948 2.5649 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8040 -7.1992 4.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0147 -6.3795 3.9977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2516 -5.0037 5.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9893 -4.2385 4.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4250 -4.8671 4.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0972 -3.8283 5.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 -6.2616 5.8753 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5586 -5.4001 7.2222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 -6.7122 6.4047 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 26 39 1 0 39 40 1 0 40 41 2 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 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 1 56 1 0 1 57 1 0 1 58 1 0 2 59 1 0 2 60 1 0 3 61 1 0 3 62 1 0 4 63 1 0 4 64 1 0 5 65 1 0 5 66 1 0 6 67 1 0 7 68 1 0 8 69 1 0 8 70 1 0 9 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 25 91 1 0 25 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 36100 1 0 36101 1 0 36102 1 0 37103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 38108 1 0 40109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 45118 1 0 46119 1 0 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 52131 1 0 52132 1 0 53133 1 0 53134 1 0 54135 1 0 54136 1 0 55137 1 0 55138 1 0 55139 1 0 M CHG 2 31 -1 35 1 M END