HMDB0242023 RDKit 3D N-Docosahexaenoyl Tryptophan 80 81 0 0 0 0 0 0 0 0999 V2000 12.8627 -0.6564 -1.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7797 -1.1469 -0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3746 -0.8384 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1980 -0.0606 1.3296 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0336 0.3928 2.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6833 0.0493 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1006 -0.6793 0.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5742 -0.8013 0.6934 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 -0.0246 1.7809 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1329 0.9958 1.5466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5527 1.7483 2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1076 1.7603 2.8221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1316 1.1999 2.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0989 0.2662 1.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3365 0.9602 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2393 0.5602 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4713 -0.6979 -0.2345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5576 -1.4907 -1.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6960 -1.8247 -2.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0115 -1.5127 -1.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7627 -0.6647 -2.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0884 -0.3475 -1.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4051 -0.7821 -0.7830 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9819 0.4593 -2.7023 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2820 0.7673 -2.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0507 -0.5010 -2.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3785 -0.4609 -1.4818 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5568 -0.2318 -2.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5747 -0.2297 -1.2915 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.0590 -0.4556 -0.0674 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7179 -0.5550 1.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9635 -0.8103 2.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5951 -0.9647 2.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9338 -0.8667 1.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6877 -0.6084 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1567 1.4854 -0.8209 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0232 1.7011 -0.3258 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2695 1.9464 -0.1511 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7214 -1.0965 -2.1785 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9774 0.4632 -1.6091 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8941 -0.8587 -2.1574 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4686 -0.6109 0.4732 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8862 -2.2384 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6228 -1.3208 -0.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2069 0.3264 1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0845 1.5513 2.0953 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1543 0.0831 3.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9051 0.5662 2.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 -1.2390 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3082 -0.4335 -0.3048 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3487 -1.8835 0.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1873 -0.2722 2.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9201 1.2652 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9937 1.3985 3.6495 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9144 2.8308 2.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7916 2.4240 3.6978 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0880 1.4031 2.5821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5448 -0.6635 1.3676 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 -0.0262 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7378 1.9409 -0.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2350 1.2019 -1.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 -1.3313 0.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4762 -0.4759 0.1743 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3822 -1.7866 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6770 -2.4079 -2.9688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5643 -2.5168 -1.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0789 -1.0815 -0.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2002 0.2805 -2.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8287 -1.1662 -3.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7038 0.7909 -3.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7293 1.5265 -2.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1635 -0.7873 -3.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4873 -1.3605 -1.6612 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7043 -0.0704 -3.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5899 -0.0784 -1.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8091 -0.4343 1.2051 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4833 -0.8884 3.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0104 -1.1660 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8627 -0.9784 0.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2931 2.3116 0.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 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 2 3 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 2 0 28 29 1 0 29 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 2 0 25 36 1 0 36 37 2 0 36 38 1 0 35 27 1 0 35 30 1 0 1 39 1 0 1 40 1 0 1 41 1 0 2 42 1 0 2 43 1 0 3 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 6 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 10 53 1 0 11 54 1 0 11 55 1 0 12 56 1 0 13 57 1 0 14 58 1 0 14 59 1 0 15 60 1 0 16 61 1 0 17 62 1 0 17 63 1 0 18 64 1 0 19 65 1 0 20 66 1 0 20 67 1 0 21 68 1 0 21 69 1 0 24 70 1 0 25 71 1 0 26 72 1 0 26 73 1 0 28 74 1 0 29 75 1 0 31 76 1 0 32 77 1 0 33 78 1 0 34 79 1 0 38 80 1 0 M END