HMDB0115479 RDKit 3D PA(24:1(15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 141140 0 0 0 0 0 0 0 0999 V2000 13.0775 -1.7375 5.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8594 -0.4513 5.0115 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1479 -0.7215 3.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 -0.4885 2.5356 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9238 0.0967 2.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7783 -0.7732 1.4511 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3187 -0.3530 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1740 0.9733 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8152 0.9558 -1.6547 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8242 1.4884 -2.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7396 2.2806 -1.6290 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4827 1.8077 -2.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4412 1.2835 -1.7298 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3330 1.0329 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0415 -0.4148 -0.1138 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9525 -0.8783 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8194 -0.1984 0.9713 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 1.2150 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8784 2.0573 0.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8483 1.6402 -0.4046 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0949 2.3776 -1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1806 2.0970 -2.7596 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4088 2.6829 -3.8951 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0538 1.2687 -2.7643 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2970 1.1489 -3.9583 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8797 1.6089 -3.7440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1277 0.8449 -2.8935 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2511 0.5676 -1.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1615 1.0431 -0.9012 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2352 -0.3555 -0.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9892 0.4654 -0.7246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 -0.3435 -0.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5014 -1.4099 -1.1605 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6346 -2.3114 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0037 -1.7247 -0.8187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4194 -0.9570 -2.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8420 -0.4499 -1.9609 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7581 -1.6259 -1.9159 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2140 -1.1219 -1.9223 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0425 -2.3843 -1.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5017 -2.2293 -1.9948 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2013 -1.5473 -0.8758 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0216 -2.2085 0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5299 -1.6192 1.4764 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0971 -0.2057 1.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9387 0.6056 2.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4114 0.5086 2.0518 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2771 1.3019 3.0069 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7009 1.1993 2.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6395 1.9659 3.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5825 1.4642 4.9080 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5504 2.2890 5.7296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2859 -0.2725 -4.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6870 -1.0710 -3.5116 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5932 -2.6756 -4.0363 P 0 0 0 0 0 5 0 0 0 0 0 0 1.4992 -2.7172 -5.1027 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1463 -3.6518 -2.7399 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0629 -3.1658 -4.7351 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6730 -2.4738 5.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0688 -2.1157 6.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6192 -1.4645 6.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1118 0.1468 5.6523 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7499 0.1542 4.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1389 -1.1651 3.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9540 -0.7594 1.7174 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8770 1.1509 1.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4737 0.1187 3.2861 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9623 -1.8204 1.7845 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9520 -1.0776 -0.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5205 1.6836 0.3360 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2359 1.4397 -0.1559 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5597 0.3661 -2.3012 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7424 1.3574 -3.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8446 3.3726 -1.9242 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7943 2.2726 -0.5446 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4759 1.9549 -3.3598 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5534 0.9813 -2.3572 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7464 1.7503 0.2475 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3955 1.1277 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8225 -1.1301 -0.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9327 -2.0285 0.4180 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8356 -0.6469 0.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7237 -0.6414 2.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3996 1.6588 1.9439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9405 3.1140 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9722 0.5733 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8256 1.8385 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0928 3.4977 -1.5032 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1512 2.1822 -2.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.7684 -4.7410 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8976 2.6964 -3.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3559 1.6337 -4.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1457 -1.2518 -1.5284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6625 -0.6514 0.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3240 0.9615 -1.6695 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7905 1.2491 0.0396 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 0.3903 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8378 -0.7819 0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4890 -0.9898 -2.2193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5751 -2.0848 -1.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 -2.8497 0.0616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5824 -3.1350 -1.6731 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6998 -2.5921 -0.6588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1270 -1.0818 0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7920 -0.0159 -2.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3336 -1.5122 -2.9782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9819 0.1484 -1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0144 0.2076 -2.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6061 -2.2770 -2.7851 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6015 -2.2279 -1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3237 -0.5228 -2.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3563 -0.4972 -1.0318 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7359 -3.0181 -1.0725 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6511 -2.9693 -2.8296 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9453 -3.2757 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8142 -1.7878 -3.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0322 -0.4731 -0.9029 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3253 -1.6405 -1.1032 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3240 -3.2783 0.5250 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4336 -2.2213 2.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0687 -0.2148 1.9525 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9658 0.2751 0.5189 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6045 1.6575 2.4960 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8607 0.1925 3.4748 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7361 -0.5213 1.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4976 0.9928 1.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0922 0.9604 4.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9547 2.3782 2.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0227 0.1331 2.6313 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8228 1.5384 1.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6915 1.8963 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3440 3.0230 3.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9426 0.4134 4.9404 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5848 1.5656 5.3809 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2499 3.3347 5.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7061 1.8652 6.7414 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.5648 2.3199 5.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3136 -0.5722 -4.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6608 -0.2424 -5.4110 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5808 -3.3436 -1.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6452 -3.6331 -4.1127 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 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 2 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 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 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 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 25 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 55 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 19 85 1 0 20 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 25 90 1 6 26 91 1 0 26 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 42117 1 0 42118 1 0 43119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 50131 1 0 50132 1 0 51133 1 0 51134 1 0 52135 1 0 52136 1 0 52137 1 0 53138 1 0 53139 1 0 57140 1 0 58141 1 0 M END