HMDB0288848 RDKit 3D PC(2:0/20:4(6E,8Z,11Z,14Z)+=O(5)) 91 90 0 0 0 0 0 0 0 0999 V2000 12.2121 1.6257 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9386 0.1432 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4936 -0.1052 0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3225 0.3754 1.7492 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8582 0.1443 2.1877 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0393 0.9154 1.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1341 0.3883 0.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8711 -1.0748 0.5063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4683 -1.3529 0.9038 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5746 -2.0082 0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 -2.5609 -1.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1831 -2.1360 -2.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3483 -1.1767 -2.4955 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8764 -0.2988 -1.4724 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 0.6804 -1.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5192 1.5605 -0.6914 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9620 1.4003 0.4814 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5498 2.6343 -0.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2945 2.3009 -2.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0587 1.0336 -1.9089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9680 1.2089 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1399 2.2548 -0.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7241 0.1076 -0.3376 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5833 0.2009 0.7325 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3307 -0.7786 1.8443 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4427 -2.0884 1.3570 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 -3.2381 2.0748 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4220 -4.5823 1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9968 -3.1410 3.2959 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0056 0.0278 0.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1378 -1.2072 -0.3209 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7215 -1.4770 -0.8670 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.2367 -2.7236 -0.1970 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7528 -1.6269 -2.5387 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.7010 -0.1800 -0.3378 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2325 0.5227 -1.4010 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0716 1.6554 -0.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1653 1.2532 -0.0401 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.6788 2.4766 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1710 0.6431 -0.8877 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7633 0.3884 1.0516 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0594 1.9202 -0.6089 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3402 2.2333 -0.2481 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4854 1.8900 1.0938 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6275 -0.4202 0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0897 -0.1299 -1.1203 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8701 0.4953 -0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2266 -1.1611 0.2791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0217 -0.1195 2.4286 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5605 1.4565 1.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7934 0.5432 3.2485 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7446 -0.9171 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2424 2.0139 1.2575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 1.0307 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5977 -1.6933 1.0099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9588 -1.3908 -0.5907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1137 -0.9929 1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5558 -2.1808 0.6312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4963 -3.7044 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9459 -2.7791 -1.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4296 -2.7096 -3.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 -0.9777 -3.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1815 -0.3166 -0.4543 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6659 0.7467 -2.7698 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0164 2.9103 -0.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1870 3.5232 -1.2783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3687 2.2503 -3.0359 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0620 3.1073 -2.3129 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3858 0.1663 -1.7048 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7275 0.7884 -2.7793 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5404 1.2459 1.1637 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1418 -0.6354 2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3812 -0.5874 2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4630 -4.8153 1.1681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7952 -4.6818 0.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0291 -5.3673 2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7414 0.2255 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 0.7898 -0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8961 -0.1940 -1.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4122 0.9119 -2.0068 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4225 2.3532 -0.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4781 2.2914 -1.6883 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1641 2.6530 1.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4430 3.3637 -0.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7681 2.3858 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8083 0.5511 -1.9476 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4435 -0.3330 -0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0243 1.3652 -0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8088 0.8256 1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5002 0.5494 1.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6924 -0.6649 0.7796 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 2 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 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 2 0 24 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 38 41 1 0 1 42 1 0 1 43 1 0 1 44 1 0 2 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 4 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 8 56 1 0 9 57 1 0 10 58 1 0 11 59 1 0 11 60 1 0 12 61 1 0 13 62 1 0 14 63 1 0 15 64 1 0 18 65 1 0 18 66 1 0 19 67 1 0 19 68 1 0 20 69 1 0 20 70 1 0 24 71 1 1 25 72 1 0 25 73 1 0 28 74 1 0 28 75 1 0 28 76 1 0 30 77 1 0 30 78 1 0 36 79 1 0 36 80 1 0 37 81 1 0 37 82 1 0 39 83 1 0 39 84 1 0 39 85 1 0 40 86 1 0 40 87 1 0 40 88 1 0 41 89 1 0 41 90 1 0 41 91 1 0 M CHG 2 34 -1 38 1 M END