HMDB0116794 RDKit 3D PS(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)) 150149 0 0 0 0 0 0 0 0999 V2000 5.6008 2.7034 -3.4494 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2930 1.9349 -3.1560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4776 0.4992 -3.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8569 -0.3095 -4.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7667 0.2138 -5.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 -0.4773 -4.8151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4320 0.1483 -4.4211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2828 1.5996 -4.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0931 1.8864 -2.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2104 2.4607 -2.4544 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2225 2.8803 -3.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5085 2.1660 -3.1291 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6058 2.8170 -2.8618 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6966 4.2718 -2.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0765 4.8855 -1.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0587 4.5651 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3894 5.1777 0.8644 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5959 4.7820 1.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6507 3.3898 2.1329 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6702 2.2752 1.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1230 2.3139 0.0189 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1371 1.0225 1.5547 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1069 -0.0940 0.7393 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5664 -1.3625 1.4672 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7538 -1.4794 2.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6449 -2.5009 3.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3379 -3.5064 3.3524 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7000 -2.3030 4.5886 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2208 -3.4399 5.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4510 -4.4735 4.5493 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3555 -3.8073 3.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4225 -4.7195 3.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3745 -5.5825 3.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3537 -6.5470 3.4667 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5806 -6.3254 2.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 -5.8740 1.3605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3141 -4.6270 0.7573 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8686 -3.3232 1.1290 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7579 -2.8370 2.5064 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3737 -1.4242 2.6578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7108 -0.4565 1.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 0.6054 2.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 0.9370 3.6612 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5935 2.2949 3.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0399 2.3953 3.6032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5327 3.7717 3.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9831 3.9614 3.6081 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2225 3.8005 2.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 4.8080 1.3266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7121 4.6021 -0.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6349 -0.3496 0.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7051 -1.4913 -0.4716 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1946 -1.9922 -1.0258 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4394 -0.8746 -1.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3006 -2.6220 0.2702 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4695 -3.2826 -2.0895 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7857 -3.1635 -3.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1305 -4.3878 -4.1227 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5518 -4.4408 -4.3704 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7086 -5.6442 -3.4860 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5088 -5.8569 -3.1543 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6240 -6.6357 -3.2304 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4533 2.1938 -2.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6907 2.7736 -4.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5376 3.7392 -3.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1696 2.0758 -2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5314 2.4394 -3.7249 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2625 0.0254 -2.7475 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1004 -1.3885 -4.2491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7084 1.2674 -5.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1054 -0.1253 -6.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4227 -1.5876 -4.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4922 -0.4487 -4.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3491 2.0647 -4.9532 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2845 2.1130 -4.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5833 1.6134 -1.9642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4772 2.6714 -1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9864 2.5605 -4.4794 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3022 3.9679 -3.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 1.0798 -3.1179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5552 2.2731 -2.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6180 4.5410 -3.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9012 4.8538 -3.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0609 6.0040 -1.7228 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1179 4.6852 -1.2382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7561 3.5212 -0.3990 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1126 5.1047 -0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3122 6.3001 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5037 4.9486 1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7020 5.4902 2.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 4.9682 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8229 3.2213 2.9076 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5774 3.2714 2.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6203 -0.0178 -0.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6442 -1.3090 1.7034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3717 -2.2012 0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8450 -1.6264 4.2410 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2299 -1.6006 5.3181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0672 -4.0032 5.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5529 -3.0770 6.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1447 -5.0565 3.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0153 -5.1574 5.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8473 -3.1513 3.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7569 -3.1094 4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1338 -5.4037 2.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0917 -4.0561 2.3259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8592 -4.9363 4.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4231 -6.1102 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5985 -7.1924 4.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7610 -7.3761 2.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3863 -5.8179 3.4153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1061 -7.3867 2.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 -6.7059 0.6994 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8121 -6.0538 0.9991 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2155 -4.5244 0.5315 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6757 -4.7449 -0.3775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3641 -2.5278 0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9493 -3.2565 0.7429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 -2.7270 2.8877 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3200 -3.5044 3.2088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4767 -1.2045 3.7248 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4390 -1.5929 2.3059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7330 -0.6049 0.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6039 1.2866 1.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3261 0.2218 4.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8769 1.0697 3.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0286 3.1184 3.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 2.4894 5.0862 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1628 2.2133 2.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6213 1.6637 4.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4524 3.9472 5.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9091 4.5733 3.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5678 3.2136 4.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2871 5.0046 3.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9915 2.7641 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2990 4.0294 1.9377 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3506 4.6472 1.5199 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7669 5.8218 1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8611 3.5294 -0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5980 5.2072 -0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8217 4.9595 -0.7254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2525 0.4885 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0501 -0.4943 1.2507 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -3.4707 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7040 -3.2328 -3.0531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9793 -2.2365 -3.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5626 -4.2710 -5.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7287 -4.0808 -5.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1241 -3.8950 -3.7076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1055 -7.1455 -3.9576 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 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 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 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 2 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 23 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 0 60 61 2 0 60 62 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 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 15 85 1 0 16 86 1 0 16 87 1 0 17 88 1 0 17 89 1 0 18 90 1 0 18 91 1 0 19 92 1 0 19 93 1 0 23 94 1 6 24 95 1 0 24 96 1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 37115 1 0 37116 1 0 38117 1 0 38118 1 0 39119 1 0 39120 1 0 40121 1 0 40122 1 0 41123 1 0 42124 1 0 43125 1 0 43126 1 0 44127 1 0 44128 1 0 45129 1 0 45130 1 0 46131 1 0 46132 1 0 47133 1 0 47134 1 0 48135 1 0 48136 1 0 49137 1 0 49138 1 0 50139 1 0 50140 1 0 50141 1 0 51142 1 0 51143 1 0 55144 1 0 57145 1 0 57146 1 0 58147 1 6 59148 1 0 59149 1 0 62150 1 0 M END