HMDB0008014 RDKit 3D PC(16:1(9Z)/20:3(8Z,11Z,14Z)) 134133 0 0 0 0 0 0 0 0999 V2000 4.0376 0.3745 11.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 1.8216 11.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 2.1220 10.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6390 1.6446 8.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5419 0.1911 8.6647 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 -0.4917 8.7595 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4211 -1.1188 7.7433 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8061 -1.2052 6.3896 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7043 -0.5854 5.3746 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1679 -1.1246 4.3011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8459 -2.5247 3.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1618 -2.4466 2.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9720 -2.8764 2.2811 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0729 -3.5343 3.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6339 -4.9238 2.6848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8491 -4.6971 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -5.9781 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 -5.6675 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4315 -4.8014 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3361 -4.4072 -1.4579 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0233 -5.2425 -2.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2915 -3.1120 -1.9245 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9377 -2.5767 -3.0516 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0811 -1.9758 -4.0211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6343 -1.4285 -5.1040 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 -0.8057 -6.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -0.7965 -5.9675 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4940 -0.1797 -7.3252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2285 1.3157 -7.3756 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7853 1.8572 -8.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5732 3.3385 -8.8254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2724 4.1779 -7.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9728 5.6478 -7.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7960 6.4463 -6.9642 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 6.1510 -7.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0351 5.6303 -6.3792 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6830 5.2695 -5.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8534 3.7861 -4.7293 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2720 3.3639 -4.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3726 1.8982 -4.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7530 1.3549 -4.8996 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7913 2.0426 -4.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7178 -1.3567 -2.5350 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 -0.5239 -2.0002 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2998 0.9046 -1.3573 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.4776 2.0309 -1.9901 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9136 1.2007 -1.7902 O 0 0 0 0 0 1 0 0 0 0 0 0 -1.1000 0.8902 0.3144 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2998 0.5866 0.9590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0155 0.6003 2.4399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1892 0.2961 3.2281 N 0 0 0 0 0 4 0 0 0 0 0 0 -2.7128 -0.1949 4.5311 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0484 1.4102 3.4662 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8932 -0.7970 2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0652 0.2523 12.9335 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0488 -0.0610 11.4560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8512 -0.2599 11.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6146 2.3324 12.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1778 2.3125 11.3717 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1317 1.8411 10.5172 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1084 3.2647 10.1996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4405 2.0363 8.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6783 2.1730 8.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1004 0.0917 7.6548 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7938 -0.3295 9.3316 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4101 -0.4902 9.7138 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3954 -1.5987 7.9069 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8592 -0.6819 6.3331 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6847 -2.3101 6.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9888 0.4591 5.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8330 -0.5347 3.6493 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8028 -3.0851 3.6884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2098 -3.0175 4.5988 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7746 -1.9660 1.7557 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6210 -2.7180 1.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5107 -3.7404 4.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1546 -2.8937 3.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5636 -5.4831 2.4964 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9926 -5.4363 3.4045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9478 -4.1107 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4480 -4.1467 0.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6855 -6.4673 1.5304 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1624 -6.7217 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2876 -5.2617 -1.2686 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2632 -6.6649 -0.8848 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2664 -5.3425 0.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7522 -3.8873 0.3159 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5518 -3.2715 -3.6211 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7533 -1.2672 -3.5263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 -2.7899 -4.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 -0.6026 -8.2512 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5837 -0.3616 -7.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8716 1.4823 -7.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6919 1.8623 -6.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3788 1.3145 -9.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8885 1.6881 -8.7362 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5015 3.6137 -8.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9651 3.6442 -9.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3927 4.0666 -7.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9999 3.8516 -6.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1002 5.8201 -7.8303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2594 6.0061 -8.9872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4160 6.1318 -5.9958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5661 7.5365 -7.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 6.4036 -8.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0571 5.4560 -6.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4429 5.7527 -4.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7231 5.6040 -4.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1584 3.1445 -5.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 3.6709 -3.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0016 3.8951 -4.3543 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5142 3.5601 -6.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 1.3626 -5.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1903 1.8055 -3.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7837 0.2745 -4.5715 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0482 1.3630 -5.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7581 1.5055 -4.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4917 1.9592 -2.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8814 3.1158 -4.3368 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2765 -0.8944 -3.3757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3805 -1.6848 -1.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5566 -0.4512 0.6462 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0201 1.3449 0.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5015 1.5233 2.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 -0.2407 2.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4355 -0.0076 5.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5543 -1.2755 4.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7204 0.2629 4.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2502 2.0354 2.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9858 1.0021 3.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 2.0923 4.2537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6982 -1.1916 3.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 -0.4466 1.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1709 -1.6237 2.3618 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 2 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 23 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 8 69 1 0 9 70 1 0 10 71 1 0 11 72 1 0 11 73 1 0 12 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 19 87 1 0 23 88 1 6 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 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