HMDB0241799 RDKit 3D (20‐{[1‐Carboxylato‐3‐(trimethylammonio)propan‐2‐ yl]oxy}‐20‐oxoicosa‐6,8,12,... 78 77 0 0 0 0 0 0 0 0999 V2000 13.0021 1.1220 -1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2058 0.5861 -0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4707 -0.6345 -0.5711 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6338 -1.3021 0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5582 -0.3808 1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6635 0.0464 -0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3980 -0.1677 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6052 -0.8649 0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3071 -1.0790 0.8250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4336 -0.6517 -0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9523 -0.7542 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0887 -0.3154 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2744 0.6962 -0.7523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0299 1.5845 0.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3965 1.5443 0.8433 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2393 0.7671 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6936 0.6694 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9686 -0.7487 0.9974 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3817 -0.9973 1.4157 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3756 -0.6934 0.3836 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1179 -0.2611 -0.7669 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7115 -0.8848 0.6608 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7592 -0.6263 -0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5211 -1.8593 -0.6251 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1634 -2.5451 0.4956 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1155 -2.1875 1.6995 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8937 -3.6934 0.2193 O 0 0 0 0 0 1 0 0 0 0 0 0 -8.5705 0.4656 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6902 0.9519 -0.3909 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.9393 0.2632 -0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5122 1.0796 -1.8131 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9190 2.3307 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5703 0.6290 -0.7141 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4802 0.7318 -2.0264 O 0 0 0 0 0 1 0 0 0 0 0 0 12.4033 1.8343 -1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9169 1.6396 -0.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3299 0.2866 -1.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5278 1.3715 0.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9593 0.2974 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8102 -0.4071 -1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1935 -1.3940 -0.9723 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2880 -1.6242 1.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1341 -2.1869 0.0753 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0142 -0.8735 1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0861 0.5354 1.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1503 0.6084 -0.8568 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8596 0.2131 -0.9577 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1639 -1.2523 1.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8628 -1.6392 1.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4740 -1.3519 -1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8817 -0.1018 1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7553 -1.7913 0.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1448 -0.8853 -1.8119 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6637 0.9389 -1.6578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 2.6549 0.0424 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6280 1.3794 1.2832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7009 2.1620 1.6804 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8983 0.1631 -0.6100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 1.3084 1.4817 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2574 1.0428 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6299 -1.4728 0.2134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3215 -0.9752 1.8896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 -2.0520 1.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5570 -0.3692 2.3383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2568 -0.2598 -1.1742 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2974 -1.5767 -1.3564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8424 -2.5348 -1.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9022 0.2567 1.3790 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8623 1.3430 0.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7923 0.9971 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2841 -0.3580 -0.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9057 -0.2771 0.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8895 2.0996 -2.1263 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1247 0.3723 -2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4562 1.0811 -2.0847 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9744 2.5863 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2307 3.0010 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6087 2.3898 1.1859 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 3 7 8 1 0 8 9 2 3 9 10 1 0 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 10 33 1 0 33 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 9 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 12 53 1 0 13 54 1 0 14 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 28 68 1 0 28 69 1 0 30 70 1 0 30 71 1 0 30 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 32 76 1 0 32 77 1 0 32 78 1 0 M CHG 2 27 -1 29 1 M RAD 1 34 2 M END