HMDB0298536 RDKit 3D DG(20:4(5Z,8Z,11Z,14Z)-OH(19S)/0:0/i-13:0) 104103 0 0 0 0 0 0 0 0999 V2000 -11.2301 0.7823 0.7745 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2118 -0.0518 1.5022 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6195 0.4266 1.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1085 -1.5337 1.3833 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2347 -2.1239 0.0466 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2178 -1.8999 -1.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8382 -2.4858 -0.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8788 -2.3264 -1.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5220 -0.9351 -2.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7483 -0.2183 -1.1033 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4453 1.1942 -1.4999 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6280 1.3350 -2.7408 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3066 0.6370 -2.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1922 -0.5701 -2.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2374 1.3367 -2.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9730 0.8126 -1.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0479 -0.2971 -0.7535 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.5769 0.2463 0.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6903 -0.9303 -0.5810 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7567 -0.0096 -0.1481 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7714 0.6046 1.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6242 0.3940 1.9172 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3120 1.6015 1.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 0.8391 2.0433 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5305 1.8341 2.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0620 2.5308 1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2985 2.5101 0.7944 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3838 1.7914 1.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5195 2.6762 1.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6776 2.5114 1.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1249 1.5874 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3789 0.6033 -0.3776 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5718 -0.6876 -0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6477 -1.3254 0.4197 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5856 -2.0783 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8570 -1.8094 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4717 -0.7526 0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0867 0.2475 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1129 -0.3890 -1.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2727 -1.0035 -0.8271 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2433 -1.6098 -1.8523 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9201 -0.0037 -0.1032 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6106 1.1853 -0.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0541 1.7249 1.3884 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2452 0.3342 0.6699 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1098 0.1828 2.5990 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8830 1.3013 1.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3741 -0.3585 1.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6424 0.7775 0.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1324 -1.8272 1.8721 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9394 -1.9560 2.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2699 -1.8562 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3343 -3.2620 0.1424 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0581 -0.8474 -1.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5715 -2.4639 -1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9357 -3.5689 -0.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4297 -2.0123 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3146 -2.8895 -2.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9633 -2.9073 -1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9027 -1.0021 -3.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4265 -0.3276 -2.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7620 -0.7624 -0.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2675 -0.2476 -0.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4058 1.7375 -1.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8744 1.6758 -0.6712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1145 0.8746 -3.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4276 2.3953 -2.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5163 0.4278 -2.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2938 1.5974 -1.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7706 -1.0829 -1.1243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0544 1.1099 0.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3954 -1.3710 -1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7577 -1.7288 0.1962 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0539 2.4250 1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 1.9812 0.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8318 0.0557 1.4075 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0333 0.4485 3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2966 1.2420 2.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1426 2.5734 3.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 3.1455 0.6301 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 3.0911 -0.1178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6340 0.8007 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9662 1.5310 2.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3379 3.4706 2.5914 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4637 3.2332 1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6657 2.2692 -0.4940 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0845 1.0989 0.7139 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5356 0.9244 -1.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9232 -1.3829 -0.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0553 -0.7740 1.2511 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0903 -2.1790 0.9743 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1287 -2.8984 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5214 -2.4172 -1.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9332 -0.2921 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3866 -1.2133 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6325 1.0208 -0.0509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3209 0.7193 -1.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6988 -1.1650 -2.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5374 0.3861 -2.2433 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0413 -1.8213 -0.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2786 -1.5112 -1.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0218 -2.6940 -1.9715 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0880 -1.1440 -2.8372 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0613 0.7624 -0.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 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 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 16 68 1 0 16 69 1 0 17 70 1 6 18 71 1 0 19 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 37 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 1 41101 1 0 41102 1 0 41103 1 0 42104 1 0 M END