HMDB0113088 RDKit 3D PE-NMe(18:0/16:1(9Z)) 128127 0 0 0 0 0 0 0 0999 V2000 -12.3789 -6.0233 -0.5035 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7963 -5.4739 -1.8546 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6980 -5.7099 -2.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4218 -5.0427 -2.4300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6069 -3.5598 -2.3158 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2991 -2.8723 -1.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7844 -3.3323 -0.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6033 -2.5355 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8857 -1.0966 0.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5975 -0.2608 0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0234 1.1563 0.6696 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0044 2.1577 0.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8073 2.3153 0.1529 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7953 1.2556 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2085 0.8495 1.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5557 2.0374 2.0292 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2014 3.0334 2.4344 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 2.0521 2.1632 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5027 3.1351 2.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8575 2.9227 4.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1138 1.9905 4.2111 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3987 1.9015 3.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8053 2.8068 2.9772 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1686 0.7150 4.1527 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5885 0.6547 3.6213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5831 0.5418 2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 0.5724 1.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9153 -0.4245 1.6739 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6081 -0.3160 2.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5657 -1.3186 3.3931 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7901 -1.7333 2.7869 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0280 -2.4747 1.5671 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6091 -2.0243 0.2411 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1026 -3.0004 -0.8629 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5903 -3.1261 -0.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2722 -1.8029 -1.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7522 -1.9785 -1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3048 -2.8950 -2.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0227 -2.4770 -3.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6681 -3.5252 -4.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6819 3.8884 1.7024 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5645 4.4135 0.7464 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8015 5.2775 -0.4639 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.2061 6.5294 0.1390 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4507 4.4038 -1.2011 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 5.6530 -1.7192 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 6.7886 -1.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6346 7.1663 -2.4194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0473 7.4569 -3.7020 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0779 7.8116 -4.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9358 -5.1793 0.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6173 -6.8108 -0.5813 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2764 -6.4580 -0.0282 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0478 -4.3992 -1.8369 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6914 -6.0437 -2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5261 -6.7898 -3.0430 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9855 -5.2460 -3.8273 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9988 -5.4697 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6682 -5.2712 -3.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9451 -3.1766 -3.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3590 -3.3680 -1.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4516 -1.7936 -2.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5352 -3.1554 -2.6988 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5285 -4.3970 -0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2093 -3.0088 1.3380 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3537 -0.6646 -0.4444 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5246 -0.8696 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8707 -0.4955 -0.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2807 -0.6131 1.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5609 1.3812 -0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9044 1.3102 1.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7489 2.0902 2.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5231 3.1985 0.9773 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2764 3.2783 0.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1624 2.5427 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 1.7647 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0473 0.4361 -0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5036 0.0233 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0121 0.4541 2.0743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 3.8965 2.9563 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4846 3.9506 4.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7119 2.7235 4.7686 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1975 0.7695 5.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6357 -0.2372 3.9350 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1496 1.4882 4.0309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9294 -0.3674 4.0399 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9269 1.3535 1.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 -0.3958 1.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2407 1.6255 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5585 0.4833 0.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5997 -1.4615 1.4038 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 -0.1621 0.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 0.0324 3.8298 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2835 0.6773 2.8793 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9277 -2.3023 3.5898 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -1.0984 4.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4402 -0.7518 2.7013 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4051 -2.2944 3.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6766 -3.5792 1.7035 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 -2.6737 1.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4901 -2.1568 0.1446 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8785 -0.9986 -0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6990 -2.6121 -1.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6227 -3.9700 -0.6418 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8504 -3.8312 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9876 -3.5983 0.0179 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9030 -1.3447 -2.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9971 -1.1270 -0.2727 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2820 -1.0000 -1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0139 -2.4465 -0.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0166 -3.9518 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4234 -2.8877 -1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9375 -2.4973 -3.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4737 -1.4821 -3.6837 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9441 -2.9806 -5.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5608 -3.9880 -3.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9875 -4.3441 -4.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 3.2387 1.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1912 4.7320 2.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1780 5.0001 -1.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9097 7.6335 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1204 6.7153 -0.3901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4228 6.3934 -2.5709 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1827 8.0807 -2.0914 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4278 8.3068 -3.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4097 8.8562 -4.5681 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9699 7.1462 -4.5174 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6443 7.6848 -5.6798 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 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 16 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 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 19 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 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 3 57 1 0 4 58 1 0 4 59 1 0 5 60 1 0 5 61 1 0 6 62 1 0 6 63 1 0 7 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 10 69 1 0 11 70 1 0 11 71 1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 19 80 1 0 20 81 1 0 20 82 1 0 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 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 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 45120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END