HMDB0112723 RDKit 3D PS(22:0/20:3(8Z,11Z,14Z)) 148147 0 0 0 0 0 0 0 0999 V2000 9.3437 -2.2169 4.2908 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8825 -0.8485 3.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4378 -0.5004 2.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9657 0.8516 2.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5343 1.2443 0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0658 1.2709 0.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2812 0.5507 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7863 -0.4459 -0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3127 -0.0587 -2.3168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5265 -0.7877 -3.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 -2.0963 -2.5863 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4572 -3.1309 -3.5677 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6003 -3.8918 -4.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1620 -3.7778 -3.9552 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3356 -3.4326 -5.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8671 -3.2410 -4.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7203 -2.0578 -3.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3003 -1.8336 -3.3452 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2817 -0.5644 -2.4953 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2453 -0.6230 -1.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4434 -0.2919 -1.5996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9611 -1.0203 -0.0910 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9649 -1.0522 0.9122 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1742 -2.3981 1.5133 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0703 -2.9360 2.1810 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1825 -4.1855 2.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3342 -4.7960 2.5904 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2043 -4.9521 3.4897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2350 -4.6386 3.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9537 -4.7772 2.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6713 -3.9335 0.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9396 -2.4693 1.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3715 -2.1422 1.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3878 -2.5636 0.4598 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3349 -2.0521 -0.9236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4298 -0.5523 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6811 0.0152 -0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6840 1.5102 -0.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6246 1.8871 -2.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6357 3.3872 -2.3291 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8658 4.0621 -1.7820 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9052 5.5380 -2.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7443 6.2873 -1.4074 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8638 7.7738 -1.6740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7377 8.5660 -1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3842 8.2162 -1.6216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2715 8.4267 -3.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8871 8.0650 -3.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7230 -0.0151 1.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5378 -0.1339 2.6550 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5058 1.1528 3.7883 P 0 0 0 0 0 5 0 0 0 0 0 0 1.6629 0.9882 4.7448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 2.6224 3.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9450 1.1276 4.6538 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7566 0.3445 5.8176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0852 0.3334 6.5510 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0676 -0.2580 5.6648 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 1.7631 6.7858 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 2.3883 7.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5170 2.3044 6.1550 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5048 -2.4352 3.6147 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 -3.0129 4.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9391 -2.2677 5.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0081 -0.8628 4.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4929 -0.1208 4.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3260 -0.4881 2.5743 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8292 -1.3118 1.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5418 1.5718 2.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0661 0.8766 2.2710 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0523 0.6877 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8521 2.3443 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5574 1.9811 1.4315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1931 0.6716 0.0752 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5723 -1.4441 -0.6298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9138 -0.3308 -1.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6721 0.9221 -2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2267 -0.4201 -4.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3885 -2.4488 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9121 -1.9912 -2.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 -3.2159 -3.7372 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 -4.6346 -4.9001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8504 -4.9056 -3.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8075 -3.3285 -3.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6791 -2.4848 -5.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 -4.2864 -5.8594 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2536 -3.0858 -5.6643 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4910 -4.1274 -4.2047 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9957 -1.0990 -4.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3973 -2.1002 -2.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3668 -1.6538 -4.2092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0569 -2.7095 -2.8048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5816 0.2597 -3.2083 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7478 -0.3418 -2.1878 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9161 -0.7394 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0189 -2.3150 2.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 -3.1486 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4755 -4.8947 4.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3749 -6.0870 3.3130 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3485 -3.5980 3.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7510 -5.3535 4.1460 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0886 -4.9090 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7250 -5.8519 1.7810 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6630 -4.1208 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3446 -4.3254 0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3572 -2.0582 1.9699 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5790 -1.9719 0.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6389 -2.6272 2.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4786 -1.0551 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4147 -2.3963 0.8567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3296 -3.6936 0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 -2.3813 -1.5361 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2353 -2.4644 -1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4720 -0.3982 -2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5076 -0.0299 -0.7436 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9029 -0.3073 0.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5887 -0.3387 -1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7629 1.9662 -0.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5789 1.9746 -0.1754 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4439 1.4657 -2.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6479 1.5228 -2.5287 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7316 3.8685 -1.9191 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6130 3.5626 -3.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7657 3.6157 -2.2730 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9917 3.8527 -0.6934 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9513 5.7722 -3.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8553 5.9390 -1.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 6.0813 -0.3013 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7659 5.8857 -1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8046 8.1083 -1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0423 7.9159 -2.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 8.3581 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 9.6457 -1.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6623 8.9460 -1.1618 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0518 7.2253 -1.3063 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4620 9.5147 -3.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0038 7.8435 -3.6991 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9159 7.4129 -4.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3400 7.4924 -2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2975 8.9732 -3.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7110 1.0061 1.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5677 -0.0066 2.6682 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6122 2.9731 3.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5059 -0.7051 5.5766 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0485 0.7925 6.4271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0560 -0.2527 7.4782 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6696 -0.5266 4.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4343 -1.1528 6.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6261 2.0513 5.1604 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 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 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 23 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 56 58 1 0 58 59 2 0 58 60 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 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 41124 1 0 42125 1 0 42126 1 0 43127 1 0 43128 1 0 44129 1 0 44130 1 0 45131 1 0 45132 1 0 46133 1 0 46134 1 0 47135 1 0 47136 1 0 48137 1 0 48138 1 0 48139 1 0 49140 1 0 49141 1 0 53142 1 0 55143 1 0 55144 1 0 56145 1 1 57146 1 0 57147 1 0 60148 1 0 M END