HMDB0008929 RDKit 3D PE(16:0/18:3(6Z,9Z,12Z)) 121120 0 0 0 0 0 0 0 0999 V2000 -12.9261 4.6290 2.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9901 4.3856 1.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5460 2.9904 0.9551 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4670 2.0200 1.6501 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0794 0.5657 1.3141 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1544 0.2987 -0.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1547 -0.0570 -0.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8013 -0.2291 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3991 -1.6040 -0.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4007 -2.0342 -1.1672 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4217 -1.2893 -1.9056 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4191 0.1318 -2.0770 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4781 0.9592 -1.6350 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2689 0.5227 -0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0558 0.9285 -1.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7479 0.5774 -1.0832 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4645 1.1633 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 0.7337 0.7154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 1.0895 1.8061 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -0.0785 -0.0992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0395 -0.5603 0.1588 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8515 -0.1680 -1.0077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1594 -0.6725 -0.7284 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1953 -0.4694 -1.6294 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8732 0.1843 -2.6821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5763 -0.9117 -1.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9140 -1.6799 -0.2719 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6962 -0.9607 1.0166 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4725 0.3058 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9747 0.0976 1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7132 1.4032 1.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1871 1.2691 1.0391 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7502 0.3439 2.0612 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2397 0.2188 1.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9101 1.5399 2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4172 1.3745 1.8847 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7818 0.8457 0.5242 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3385 1.7412 -0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9864 3.0840 -0.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5498 4.0013 -1.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1347 -2.0924 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0248 -2.5382 1.1048 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1423 -4.2243 1.0955 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.9751 -4.6941 2.5219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7169 -4.5913 0.5329 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0280 -4.8201 0.0716 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4700 -5.6702 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5886 -6.1945 -1.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0933 -7.0705 -2.7908 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.0613 4.0534 3.2196 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8565 5.7212 3.0251 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9011 4.2837 3.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2997 5.1571 0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9860 4.6180 0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5056 2.8394 1.3069 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5669 2.9274 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5139 2.1844 1.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3074 2.1238 2.7405 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9966 0.0109 1.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2779 0.1802 1.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1431 0.4100 -0.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2614 -0.2494 -1.8958 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1686 0.5270 -0.7124 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7650 0.0462 0.8354 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0598 -2.3699 0.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2397 -3.1753 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3585 -1.6485 -1.6197 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4205 -1.7168 -3.0046 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2466 0.6001 -2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6293 2.0376 -1.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2765 -0.4847 -0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2463 1.1830 0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0931 0.4583 -2.6954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0631 2.0264 -1.8705 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5496 -0.5116 -1.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9590 0.9802 -1.7782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5646 2.2469 0.2567 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1634 0.7164 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 -0.2150 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8998 0.9491 -1.0943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 -0.5544 -1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9146 -1.5237 -2.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2155 0.0083 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9185 -2.1687 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2052 -2.5631 -0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6181 -0.7268 1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9261 -1.6628 1.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1150 1.1186 0.4922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3106 0.6750 2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2902 -0.3784 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3055 -0.5808 1.8777 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2905 2.0888 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4072 1.8744 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3828 0.9242 -0.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6023 2.3051 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2609 -0.6534 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5893 0.7303 3.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3899 -0.1728 0.8465 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -0.5308 2.6383 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5420 2.2823 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7318 1.9002 3.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7120 0.5971 2.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8948 2.3440 2.0674 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8909 0.7669 0.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3930 -0.1931 0.3951 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6645 1.2455 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2511 1.8686 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0694 2.9674 -0.4198 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6118 3.5555 0.4843 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4349 3.4332 -2.5652 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6458 4.5448 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3642 4.7652 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 -2.5494 0.2606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5159 -2.4048 -0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9318 -5.4784 0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2257 -5.1328 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0078 -6.5196 -0.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9964 -5.3557 -2.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3601 -6.7951 -1.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0364 -6.7476 -3.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1483 -8.0072 -2.3298 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 21 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 0 7 62 1 0 8 63 1 0 8 64 1 0 9 65 1 0 10 66 1 0 11 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 15 74 1 0 16 75 1 0 16 76 1 0 17 77 1 0 17 78 1 0 21 79 1 1 22 80 1 0 22 81 1 0 26 82 1 0 26 83 1 0 27 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 32 94 1 0 32 95 1 0 33 96 1 0 33 97 1 0 34 98 1 0 34 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 38107 1 0 39108 1 0 39109 1 0 40110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 45115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 49120 1 0 49121 1 0 M END