HMDB0260746 RDKit 3D PE(14:1(9Z)/20:4(6E,8Z,11Z,13E)-2OH(5S,15S)) 119118 0 0 0 0 0 0 0 0999 V2000 -14.3365 2.4285 -2.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2979 1.7245 -1.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9107 1.0403 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7046 0.3841 0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8046 1.4800 0.8962 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5511 1.5584 0.4367 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0068 0.5459 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8498 -0.1938 0.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5652 0.4854 0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4837 1.6440 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0221 2.1230 1.3321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4136 2.5234 0.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0201 3.0074 0.2233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0746 2.0208 0.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 2.3625 0.9182 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3696 0.7515 1.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4291 -0.1610 1.7247 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3803 -0.5019 0.6984 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1114 -1.3004 -0.3911 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2524 -1.6986 -1.3953 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1393 -2.5665 -2.5429 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.1961 -1.6924 -3.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0852 -3.0790 -3.7663 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8794 -3.8926 -1.8381 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9953 -4.9912 -1.8029 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7260 -6.1525 -1.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8181 -7.2977 -1.1156 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3938 -1.3993 1.2035 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9587 -1.0607 1.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1693 0.0335 0.4322 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0193 -1.9548 1.5337 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3661 -1.3298 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5286 -0.0674 2.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8922 0.5567 1.8929 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0315 0.8504 0.5482 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0017 -0.1891 2.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9019 -0.8433 1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9793 -1.5647 2.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8904 -2.2333 1.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0834 -2.4517 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1173 -1.9542 -0.6563 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3932 -1.0540 -1.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 -0.4329 -1.7679 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8632 0.4686 -2.7131 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1645 1.1332 -2.9586 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2301 0.3213 -2.6442 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2034 2.4274 -2.1710 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0586 2.1859 -0.6896 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1090 3.5594 -0.0195 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9723 3.3967 1.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6480 2.7245 1.7940 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8420 3.2850 -2.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0943 2.8460 -1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7452 1.7773 -2.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8016 0.8888 -1.9511 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5262 2.4357 -1.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5928 0.2469 -0.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3863 1.7671 0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1032 -0.0367 1.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3792 -0.3917 -0.1039 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1797 2.2922 1.5656 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9866 2.4380 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5861 1.1582 -1.3443 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7457 -0.1028 -0.9692 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7353 -1.1280 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1976 -0.6378 1.0934 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1413 0.8165 -0.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8152 -0.3189 0.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9260 2.5458 0.6368 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9950 1.5161 2.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4896 1.2972 1.8182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9715 2.9876 2.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9938 3.3601 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3499 1.6634 -0.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6092 3.4535 -0.7236 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0566 3.8785 0.9309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9017 0.3334 2.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9404 -1.0881 2.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 0.3839 0.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8928 -0.6712 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5642 -2.2161 0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2380 -3.3891 -3.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1624 -4.6934 -1.1404 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6730 -5.2375 -2.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6648 -6.3995 -1.6913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -5.8672 -0.0919 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1445 -7.1159 -0.3279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3736 -8.1814 -0.9514 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9862 -2.9470 1.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -2.1448 2.6108 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4549 -1.0852 0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1741 -2.0658 1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7977 0.6835 1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3190 -0.2064 3.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9182 1.5797 2.4014 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0054 0.0945 -0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1142 -0.2265 3.5439 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6779 -0.7035 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0219 -1.5372 3.4119 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6534 -2.7208 2.4003 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1152 -3.6076 0.1555 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1504 -2.1900 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0793 -2.3548 -0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5823 -0.7385 -2.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5230 -0.6747 -1.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9919 0.7254 -3.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2439 1.3940 -4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8864 0.8326 -2.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1578 2.9299 -2.4234 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3456 3.0581 -2.4942 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0762 1.7146 -0.5180 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8934 1.5641 -0.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2407 4.1669 -0.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0186 4.0995 -0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8205 2.8143 1.8792 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0031 4.4147 1.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8538 3.0852 1.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7501 1.6324 1.6018 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3783 2.8425 2.8611 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 2 0 6 7 1 0 7 8 1 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 18 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 34 36 1 0 36 37 2 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 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 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 17 77 1 0 17 78 1 0 18 79 1 6 19 80 1 0 19 81 1 0 23 82 1 0 25 83 1 0 25 84 1 0 26 85 1 0 26 86 1 0 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 1 35 96 1 0 36 97 1 0 37 98 1 0 38 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 42104 1 0 43105 1 0 44106 1 0 45107 1 6 46108 1 0 47109 1 0 47110 1 0 48111 1 0 48112 1 0 49113 1 0 49114 1 0 50115 1 0 50116 1 0 51117 1 0 51118 1 0 51119 1 0 M END