HMDB0008995 RDKit 3D PE(18:0/18:3(6Z,9Z,12Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -6.3646 5.8848 -2.8444 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5888 5.3288 -2.1545 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8707 3.8893 -2.5833 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0952 3.4546 -1.8399 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4361 2.0150 -2.2256 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3668 1.0626 -1.9136 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5050 0.0478 -1.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7629 -0.2410 -0.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2707 -1.5852 -0.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4505 -2.5372 0.1938 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1630 -2.3783 1.6257 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1633 -3.3732 2.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0032 -3.0329 2.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4839 -1.6588 2.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1964 -1.6261 1.9117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5275 -0.2929 1.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2496 -0.3159 1.0910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2695 -1.2430 1.6560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4675 -1.7434 2.7917 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0798 -1.6580 1.0498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2037 -2.5382 1.6759 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1862 -2.0090 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3904 -0.7788 2.3197 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0582 0.4230 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7129 0.4948 0.7793 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2190 1.6800 2.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5514 2.2197 2.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5776 1.1795 2.3342 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 1.5519 1.8475 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4301 2.8179 2.4766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7920 3.3005 2.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2599 3.6270 0.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3200 2.5839 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1735 1.3976 0.1892 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6009 1.7147 0.4631 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3502 2.3082 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 1.3385 -1.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0947 1.9257 -3.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5160 2.1957 -2.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1732 0.8876 -2.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6088 1.2493 -1.8467 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3591 0.0104 -1.4089 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1199 -3.8813 0.9469 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2180 -4.6932 1.6405 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0210 -6.2137 0.9395 P 0 0 0 0 0 5 0 0 0 0 0 0 1.3639 -6.6949 1.3976 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1879 -7.2432 1.6066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1043 -6.2078 -0.7281 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0806 -7.0632 -1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1310 -7.0482 -2.7329 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4274 -5.7213 -3.2558 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5913 6.2162 -3.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9667 6.7513 -2.2692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5626 5.1045 -2.8790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4648 5.3476 -1.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4622 5.9562 -2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0733 3.9200 -3.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9885 3.2678 -2.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9617 4.0723 -2.1876 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0160 3.5801 -0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4524 1.7420 -1.9596 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4628 2.0641 -3.3747 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3730 1.1466 -2.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6749 -0.6302 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5502 -0.0801 0.7170 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5907 0.4737 -0.5754 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5066 -1.7683 -1.7602 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8376 -3.4891 -0.1939 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8943 -1.3969 1.9865 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1484 -2.7037 2.1441 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4375 -4.4464 2.0152 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3567 -3.8774 2.9009 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1861 -1.5621 3.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0905 -0.8490 2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 -2.4406 2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5672 -1.8947 0.8761 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1679 0.4963 1.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2537 -0.0272 2.9513 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8879 0.7402 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4871 -0.5824 0.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5457 -2.7990 2.7096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 -1.9669 0.6783 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 -2.7572 2.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2714 1.4767 3.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5768 2.4122 2.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4000 2.3757 0.9466 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7228 3.1990 2.4918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3087 0.2768 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5956 0.8768 3.3880 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8853 1.5945 0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6327 0.7132 2.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6695 3.6465 2.3083 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3290 2.6511 3.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5065 2.6023 2.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9042 4.2636 2.8323 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2549 4.1625 0.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5669 4.4414 0.4441 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4172 2.2571 -0.6738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9045 3.0895 -1.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1381 0.6565 -0.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7574 0.8758 1.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1025 0.7446 0.7178 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7474 2.3527 1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4231 2.4084 -0.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 3.2992 -0.9791 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7159 0.3531 -1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3007 1.1601 -2.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5817 2.8777 -3.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1064 1.2465 -3.8886 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0237 2.5872 -3.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6405 2.9611 -1.8670 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1607 0.1423 -3.0189 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7223 0.4749 -1.3034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1054 1.7082 -2.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5662 1.9950 -1.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8503 -0.4180 -0.5301 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4142 0.2707 -1.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2655 -0.7490 -2.2359 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7760 -3.8011 -0.0798 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -4.2976 0.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9755 -6.7219 1.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0843 -6.7466 -0.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9097 -8.1027 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1140 -7.3218 -3.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8737 -7.7499 -3.1133 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 -5.0521 -2.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4546 -5.6102 -3.3887 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 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 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 21 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 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 10 68 1 0 11 69 1 0 11 70 1 0 12 71 1 0 13 72 1 0 14 73 1 0 14 74 1 0 15 75 1 0 15 76 1 0 16 77 1 0 16 78 1 0 17 79 1 0 17 80 1 0 21 81 1 1 22 82 1 0 22 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 0 31 95 1 0 32 96 1 0 32 97 1 0 33 98 1 0 33 99 1 0 34100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 41114 1 0 41115 1 0 42116 1 0 42117 1 0 42118 1 0 43119 1 0 43120 1 0 47121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 51126 1 0 51127 1 0 M END