HMDB0286153 RDKit 3D PC(17:0/18:2(10E,12Z)+=O(9)) 134133 0 0 0 0 0 0 0 0999 V2000 3.8448 -3.8490 -5.7255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6256 -2.3617 -5.8184 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7866 -1.5713 -5.3015 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0885 -1.8528 -3.8449 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1902 -1.1066 -3.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2847 0.2861 -2.9775 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4261 1.2624 -3.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0577 1.1081 -3.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2503 2.1678 -3.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8605 2.0115 -3.7675 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0973 2.9944 -3.8002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2996 0.6977 -4.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8190 0.0613 -2.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2099 -1.2931 -3.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2838 -1.9795 -1.8928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3540 -1.3336 -1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6978 -1.1460 -1.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9771 -0.3228 -2.8435 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5999 1.1013 -2.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0092 1.6420 -3.6994 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8716 1.9074 -1.6561 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5048 3.2544 -1.5861 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7727 3.6993 -0.3892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5440 3.0390 -0.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2648 3.3625 0.9337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0887 4.2590 1.7092 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5394 2.5785 1.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 3.0719 2.2662 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6035 2.3085 2.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3202 0.8621 2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 0.0544 2.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1694 -1.3848 3.1563 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3658 -2.2564 3.3831 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9839 -3.6905 3.6130 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 -3.8144 4.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7065 -5.2382 5.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9408 -5.8676 3.9783 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6910 -5.1467 3.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6754 -5.0182 4.7060 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5023 -4.2442 4.0979 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5969 -4.0503 5.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0572 -5.4202 5.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8209 4.0548 -1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5165 5.4347 -1.5477 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8929 6.3731 -1.5760 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.4604 7.8259 -1.5684 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6716 6.1160 -3.0761 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.0013 6.0379 -0.3742 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1612 7.0467 0.5482 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1932 6.6117 1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8498 5.4260 2.2852 N 0 0 0 0 0 4 0 0 0 0 0 0 -7.7177 5.3859 3.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1726 4.2117 1.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4848 5.3388 2.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1039 -4.3378 -5.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8751 -4.1179 -5.4592 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6597 -4.3056 -6.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7088 -2.1237 -5.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -2.0698 -6.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -0.5173 -5.5074 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 -1.9546 -5.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1501 -1.9569 -3.3030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4449 -2.9696 -3.8779 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5908 -1.7049 -2.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1300 -1.3242 -3.9386 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3175 0.6886 -2.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7592 2.3057 -2.7512 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6022 0.1646 -3.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6888 3.1285 -3.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3598 0.8054 -4.7398 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9769 0.0866 -4.7014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6678 -0.1419 -2.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1676 0.7591 -2.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0511 -1.9342 -3.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5384 -1.1723 -3.9016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6395 -2.0613 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4976 -3.0695 -2.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4410 -1.9138 -0.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9198 -0.3550 -0.7390 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3943 -0.8494 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1147 -2.1928 -1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1433 -0.2738 -2.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7357 -0.7183 -3.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9723 3.5407 -2.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4473 3.6627 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5158 4.7750 -0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2129 1.5286 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0867 2.6700 0.1358 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5245 4.1599 2.1979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6824 2.9074 3.1672 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2577 2.4576 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1690 2.7432 3.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7506 0.4160 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6894 0.7919 3.6142 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1478 0.4196 3.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2507 0.1282 2.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -1.3306 4.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5688 -1.7582 2.3280 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8992 -1.8282 4.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0999 -2.1626 2.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9430 -4.2566 3.7415 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5261 -4.0662 2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2239 -3.1597 4.6876 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6636 -3.4365 5.6936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6363 -5.8266 5.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1500 -5.2613 6.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5626 -5.9734 3.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6573 -6.8926 4.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8612 -4.1385 3.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 -5.7399 2.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0190 -4.4616 5.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2651 -5.9831 5.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1569 -3.2612 3.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9272 -4.7837 3.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1955 -3.4728 5.9895 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4090 -3.4671 4.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0539 -6.1542 4.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4464 -5.8028 6.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1316 -5.3352 5.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4681 3.7725 -0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3692 3.8708 -2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 7.9143 -0.0091 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2454 7.4201 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3549 7.4460 2.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1856 6.4648 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8538 6.4228 3.8432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7161 5.0656 3.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3351 4.7074 4.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2537 3.3360 2.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3883 3.9717 0.7916 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1696 4.3148 1.0452 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9476 4.5605 2.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9337 6.3004 2.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4511 4.9864 3.7474 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 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 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 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 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 22 43 1 0 43 44 1 0 44 45 1 0 45 46 2 0 45 47 1 0 45 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 51 54 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 0 3 61 1 0 4 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 0 7 67 1 0 8 68 1 0 9 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 15 76 1 0 15 77 1 0 16 78 1 0 16 79 1 0 17 80 1 0 17 81 1 0 18 82 1 0 18 83 1 0 22 84 1 6 23 85 1 0 23 86 1 0 27 87 1 0 27 88 1 0 28 89 1 0 28 90 1 0 29 91 1 0 29 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 42119 1 0 43120 1 0 43121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 52126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 54132 1 0 54133 1 0 54134 1 0 M CHG 2 47 -1 51 1 M END