HMDB0261368 RDKit 3D PE(18:1(9Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) 130129 0 0 0 0 0 0 0 0999 V2000 -3.8259 -3.9778 1.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4672 -4.1340 1.8699 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3376 -5.4427 2.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -6.3309 2.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3538 -6.1913 1.2655 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4487 -7.3325 0.2375 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3052 -8.5496 0.9136 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5879 -7.1844 -0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5964 -6.4093 -1.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6150 -5.5694 -2.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4707 -4.7687 -2.9814 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6082 -3.8398 -4.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6998 -3.0748 -4.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7725 -3.1688 -3.1459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8247 -2.3802 -3.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0355 -1.2906 -4.1053 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4265 -0.9774 -4.0888 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3103 -0.0243 -3.8251 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8973 -0.1395 -3.8872 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 0.6986 -2.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -0.1227 -1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6422 0.6760 -0.0590 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 1.8253 0.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8280 2.1912 -0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9753 2.5663 1.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1101 3.7071 1.5602 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4848 3.3809 2.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9516 2.0892 2.7582 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2584 1.3522 3.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0245 1.9098 4.7775 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2200 -0.0158 3.4014 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2278 -0.5029 4.4354 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4730 0.3538 4.4054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 0.3373 3.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5415 -1.0022 2.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1652 -0.9998 1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -0.5026 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9418 -0.5653 -1.1552 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2073 0.4231 -1.9817 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7956 1.8153 -1.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9451 2.2312 -2.9109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6657 2.2890 -4.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6739 3.3088 -4.4547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8961 3.5249 -3.6977 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9114 2.4474 -3.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0750 2.9928 -2.7694 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1767 1.9879 -2.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0622 4.9166 1.6345 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7519 4.9693 0.4215 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8788 6.2131 0.4605 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.2203 7.5476 0.4011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8010 6.1012 1.9108 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9933 5.9934 -0.8183 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3098 4.6316 -0.8923 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2600 4.3073 -1.9965 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7061 4.6772 -3.2988 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 -3.1739 1.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3745 -4.9175 1.3808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -3.7933 0.1064 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6495 -3.9471 1.1703 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 -3.3388 2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0833 -5.6738 3.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4358 -7.2739 2.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 -6.2970 1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 -5.2784 0.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4413 -7.3099 -0.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6049 -8.6120 1.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4233 -7.8886 -0.7671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0079 -6.4691 -1.7464 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3468 -5.4003 -3.6451 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2085 -4.9135 -2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 -3.6805 -4.8241 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7524 -2.4103 -4.9454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7050 -3.9445 -2.3706 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5821 -2.6255 -2.3948 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 -1.5796 -5.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5465 -0.0043 -4.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5821 0.7018 -4.6458 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6830 -0.0184 -4.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7126 1.0442 -2.5710 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0527 1.6233 -2.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -0.8676 -1.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4520 -0.6778 -1.3210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7234 0.9464 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4190 -0.0191 0.8099 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3889 3.7772 0.7576 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3049 3.3942 3.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7000 4.1478 3.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6627 -0.7281 3.5140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5572 -0.1579 2.3575 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7205 -0.3065 5.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3787 -1.5673 4.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1993 1.3697 4.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2282 -0.0198 5.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9857 1.0332 3.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 0.7562 2.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2987 -1.4040 3.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7260 -1.7488 2.5225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4083 -2.0581 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0799 -0.4222 1.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3354 -1.1840 0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9235 0.5003 0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3082 -1.5605 -1.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7532 0.2170 -2.9176 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 2.4990 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 1.9229 -0.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4114 3.2115 -2.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0704 1.5103 -2.9848 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8512 2.4488 -5.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0480 1.2522 -4.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 3.1466 -5.5489 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 4.3222 -4.4982 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7794 4.0784 -2.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4695 4.3732 -4.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3434 2.2710 -4.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5987 1.5184 -3.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 3.8987 -3.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7070 3.3230 -1.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8376 1.0173 -3.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3908 1.8165 -1.5535 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1299 2.3380 -3.1514 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7169 4.8354 2.5163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4281 5.8185 1.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1955 5.1719 1.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3742 4.0341 -0.9528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8387 4.3844 0.0778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3738 3.1882 -2.0504 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2626 4.7358 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4658 4.6059 -4.0360 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3924 5.6822 -3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 2 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 26 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 1 57 1 0 1 58 1 0 1 59 1 0 2 60 1 0 2 61 1 0 3 62 1 0 4 63 1 0 5 64 1 0 5 65 1 0 6 66 1 6 7 67 1 0 8 68 1 0 9 69 1 0 10 70 1 0 11 71 1 0 12 72 1 0 13 73 1 0 14 74 1 0 15 75 1 0 16 76 1 6 17 77 1 0 18 78 1 6 19 79 1 0 20 80 1 0 20 81 1 0 21 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 6 27 87 1 0 27 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 48122 1 0 48123 1 0 52124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 56129 1 0 56130 1 0 M END