HMDB0263427 RDKit 3D PA(16:1(9Z)/18:1(9Z)-O(12,13)) 114114 0 0 0 0 0 0 0 0999 V2000 -13.4281 0.4794 1.7667 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8766 1.8806 1.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9394 2.1972 2.8321 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6961 1.5365 3.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4951 1.4082 2.3331 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3820 0.6167 1.1306 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1698 0.8637 -0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6554 1.2323 -1.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2341 1.4223 -1.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8273 0.4849 -2.5469 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9888 -0.9429 -2.3327 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2339 -1.7286 -1.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7700 -1.8956 -1.5805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8712 -0.7379 -1.5672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7762 0.0066 -0.2551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8498 1.1571 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3629 2.3099 -0.5229 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5065 1.0206 -0.7517 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6640 2.1588 -1.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2885 1.6511 -1.2873 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3230 0.7024 -2.5086 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0310 0.3773 -2.7260 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2641 -0.6401 -4.0276 P 0 0 0 0 0 5 0 0 0 0 0 0 0.2338 -0.2962 -5.0824 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1339 -2.2813 -3.5961 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7936 -0.3557 -4.7391 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2804 0.9332 -0.2004 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5557 1.2308 0.2493 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1649 2.1554 -0.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2662 0.5856 1.3552 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8031 -0.7418 0.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7487 -0.5915 -0.2165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2173 -2.0077 -0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1247 -2.0030 -1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3739 -1.2084 -1.5728 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2778 -1.6485 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6896 -3.0556 -0.5681 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9480 -3.4561 -0.6871 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 -2.5307 -0.7126 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0624 -2.7906 0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1926 -1.8011 0.2974 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3888 -1.6873 1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3271 -0.6383 1.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7856 0.4224 2.5271 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0647 0.9898 1.9526 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6407 2.0654 2.8362 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6713 3.2157 2.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4655 0.4321 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4853 0.1166 0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8213 -0.2025 2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6160 2.2139 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8289 2.5249 1.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5993 2.1730 3.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7794 3.3429 2.7624 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0189 0.4707 3.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3683 1.9385 4.2078 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6468 1.0465 3.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0637 2.4813 2.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2792 0.3934 0.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6708 -0.4742 1.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2584 0.6966 -0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3181 1.4193 -2.0621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5594 1.4947 -0.5924 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1554 2.4532 -1.9246 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8534 0.7647 -2.9265 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5738 0.7895 -3.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0877 -1.2527 -2.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7534 -1.4356 -3.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4352 -1.4287 -0.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 -2.8030 -1.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3553 -2.6905 -0.8696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6244 -2.4120 -2.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8666 -0.0736 -2.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8035 -1.2078 -1.6573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7277 0.3423 0.1595 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2642 -0.6850 0.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 2.7069 -1.8878 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 2.8464 -0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3994 2.4507 -1.6056 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7139 1.2150 -3.3841 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8333 -0.2468 -2.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8693 -2.8106 -3.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1383 0.5394 -4.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5192 0.3949 2.1833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 1.2512 1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9942 -1.4298 0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3205 -1.2973 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5736 0.0752 0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2201 -0.2557 -1.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6845 -2.3897 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3543 -2.6538 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3015 -3.0527 -2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5425 -1.5524 -2.5428 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1236 -0.1361 -1.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9081 -1.2960 -2.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6117 -1.5959 0.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0620 -0.9250 -0.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9267 -3.8590 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0975 -4.5520 -0.7722 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8507 -1.4887 -0.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6792 -2.8247 -1.6508 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4244 -3.8024 0.5900 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7667 -2.0649 2.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1548 -0.0996 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3778 -1.0446 1.9605 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9649 1.1654 2.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9314 0.0014 3.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8859 1.3486 0.9299 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8023 0.1724 1.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9842 1.6409 3.7786 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5324 2.4832 2.2804 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1287 3.9315 3.7312 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6800 2.9088 3.3300 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5530 3.7520 2.0421 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 23 26 1 0 20 27 1 0 27 28 1 0 28 29 2 0 28 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 2 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 45 46 1 0 46 47 1 0 42 40 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 0 5 58 1 0 6 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 12 70 1 0 13 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 19 77 1 0 19 78 1 0 20 79 1 6 21 80 1 0 21 81 1 0 25 82 1 0 26 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 45108 1 0 45109 1 0 46110 1 0 46111 1 0 47112 1 0 47113 1 0 47114 1 0 M END