HMDB0284085 RDKit 3D PE(18:1(9Z)-O(12,13)/22:4(7Z,10Z,13Z,16Z)) 134134 0 0 0 0 0 0 0 0999 V2000 -15.6486 1.9664 2.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6583 0.8396 2.4909 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1976 0.8840 1.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2043 0.8361 0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3357 -0.3309 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3997 -0.7373 0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0953 -0.7489 0.7337 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3746 -0.3359 -0.5075 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5451 -1.4612 -0.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2499 -1.3908 -1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6065 -0.0768 -0.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7956 -0.3046 0.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5615 -0.0806 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5444 0.4988 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8653 0.9753 -1.3221 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2950 0.4951 -2.4176 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2753 -0.5508 -2.5166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0701 -0.0535 -3.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2686 1.0611 -2.8145 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4229 1.0399 -1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0075 0.7656 -0.2953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0303 0.8612 0.8373 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4058 1.2474 1.9812 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 0.5323 0.6734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1494 0.6470 1.8297 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3479 1.4510 1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1390 0.8314 0.4576 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3004 1.4538 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6094 2.5573 0.5722 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2375 0.9015 -0.9618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1458 -0.1359 -0.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9292 0.4576 0.8222 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 1.5638 0.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5639 2.1356 1.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3314 1.1740 2.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4628 0.5211 1.6832 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4066 1.5478 1.2275 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8396 1.7852 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4146 1.0007 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4832 0.2889 -1.9075 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5274 0.9537 -2.5226 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8490 0.1418 -1.3907 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5261 0.9358 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9499 0.3796 -0.1437 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8939 -1.0211 0.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3302 -1.5216 0.5441 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2578 -2.9468 1.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6070 -0.7842 2.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2908 -1.3421 1.1270 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8110 -2.8975 1.4250 P 0 0 0 0 0 5 0 0 0 0 0 0 0.8886 -3.6370 2.3814 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3876 -2.8568 2.0140 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7331 -3.7555 -0.0420 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5966 -2.8631 -1.1079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5184 -3.6031 -2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3792 -2.6434 -3.4866 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7609 2.3726 3.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6181 1.6200 2.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8747 2.7624 1.9804 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5503 1.0899 3.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2953 -0.1121 2.8342 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8627 1.8093 1.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9113 0.0033 1.0239 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7792 1.0684 -0.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5164 1.7517 0.0937 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0507 -1.2582 -0.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9445 -0.2924 -1.2125 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7501 -1.1184 1.8339 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4496 -1.0717 1.5546 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9343 0.6322 -0.3752 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1136 -0.1789 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0855 -2.3672 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6087 -2.2051 -1.3964 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0059 0.1650 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2636 0.7579 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3697 -0.7706 1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1867 -0.3769 1.8752 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6422 -0.2044 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0932 1.3633 0.6109 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5944 1.8278 -1.4899 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6149 0.9270 -3.3986 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0627 -1.1383 -1.6328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7745 -1.3430 -3.2108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4103 0.1103 -4.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3569 -0.9487 -3.4486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5575 1.3375 -3.6831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8685 2.0359 -2.7569 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5913 0.2625 -1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8001 1.9997 -1.6051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8285 1.4609 -0.0680 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4500 -0.2763 -0.2494 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3960 1.0328 2.7058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0681 2.4604 1.0391 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9767 1.7034 2.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6333 0.3629 -1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8136 1.6907 -1.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8531 -0.4634 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5537 -0.9837 0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5910 -0.3728 1.2120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2654 0.7522 1.6415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2924 2.4082 -0.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5186 1.1923 -0.3900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7643 2.6630 2.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2452 2.9669 1.2609 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7420 1.7198 3.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6058 0.3958 2.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9727 -0.2019 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0662 -0.0580 0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8299 2.2304 1.9963 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5499 2.6416 -0.1205 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9276 1.7521 -1.8694 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5589 0.3169 -0.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1105 -0.5701 -2.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3516 -0.8320 -1.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7037 1.9892 -0.6687 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0275 0.8990 0.6528 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4120 1.0523 0.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4928 0.4726 -1.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4222 -1.6887 -0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3915 -1.0438 1.3337 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9165 -1.4419 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8241 -0.9389 1.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6308 -2.9765 1.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7195 -3.5843 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2798 -3.3250 1.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2353 -0.7756 3.0930 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2996 -1.3702 2.3934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7782 -3.7661 1.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4213 -2.1376 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6520 -2.2629 -0.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5819 -4.2106 -2.3825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3476 -4.2924 -2.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7883 -2.9677 -4.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1445 -1.6989 -3.1214 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 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 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 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 25 48 1 0 48 49 1 0 49 50 1 0 50 51 2 0 50 52 1 0 50 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 42 40 1 0 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 3 63 1 0 4 64 1 0 4 65 1 0 5 66 1 0 5 67 1 0 6 68 1 0 7 69 1 0 8 70 1 0 8 71 1 0 9 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 13 77 1 0 14 78 1 0 14 79 1 0 15 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 20 88 1 0 20 89 1 0 21 90 1 0 21 91 1 0 25 92 1 1 26 93 1 0 26 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 35106 1 0 36107 1 0 36108 1 0 37109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 42114 1 0 43115 1 0 43116 1 0 44117 1 0 44118 1 0 45119 1 0 45120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 47125 1 0 48126 1 0 48127 1 0 52128 1 0 54129 1 0 54130 1 0 55131 1 0 55132 1 0 56133 1 0 56134 1 0 M END