HMDB0042103 RDKit 3D TG(14:0/15:0/20:3(5Z,8Z,11Z)) 152151 0 0 0 0 0 0 0 0999 V2000 -1.5963 3.5920 -1.3662 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6179 4.0588 0.0786 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8967 5.3966 0.1137 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 6.4132 -0.7657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9075 7.7294 -0.7731 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8132 8.4259 0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1295 8.7260 1.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 9.4565 2.4912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1607 8.5713 3.3868 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5427 8.0938 4.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8119 8.3669 5.1553 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8146 7.3956 5.4479 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8765 6.1338 5.2036 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8458 5.3628 4.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5625 4.7542 3.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6587 3.4718 3.0824 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0810 2.4779 3.9684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0879 1.5064 4.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8183 0.7526 3.4651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7129 0.0761 2.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -0.8195 3.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4166 0.4069 1.4188 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5447 0.0438 0.4635 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5254 -1.2930 -0.1643 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0174 -2.3654 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -1.9303 1.3056 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0772 -2.7989 2.1637 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6393 -3.9174 2.3744 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1893 -2.4374 2.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -1.0305 2.6514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8069 -0.4648 1.2954 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7861 -1.1764 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.4875 -0.9428 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3952 0.9314 -0.7993 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7929 0.9077 -0.1559 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3191 2.2882 0.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7097 2.3412 0.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1668 1.7256 1.7570 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1582 0.2597 1.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7363 -0.1516 3.2988 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1621 0.3233 3.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4713 -1.1852 -1.1777 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6750 -1.5216 -2.4845 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7752 -1.9567 -2.8626 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5522 -1.3529 -3.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8455 -1.9311 -4.7896 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2512 -1.7243 -5.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5832 -2.2681 -5.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5634 -3.7502 -5.2516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9380 -4.3018 -4.9305 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5395 -3.7435 -3.6784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7725 -4.0027 -2.4301 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6461 -5.5405 -2.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8558 -5.7184 -0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6975 -7.1228 -0.5167 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9984 -8.1093 -1.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4808 -8.4701 -2.6843 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9062 -8.9852 -2.7001 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7979 4.1132 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3792 2.5130 -1.4681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5775 3.7812 -1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0054 3.3431 0.6477 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6335 4.0860 0.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7682 5.7537 1.1640 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1326 5.2050 -0.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6753 6.4644 -0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5239 6.0051 -1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1202 7.5789 -1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4237 8.4226 -1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2160 7.7142 1.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 9.3351 0.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6805 9.4440 0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7375 7.8337 1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2561 10.3643 2.3092 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 9.7999 2.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1326 8.2715 3.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7699 7.4593 5.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2579 9.2738 4.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5226 8.9448 6.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7256 7.7996 5.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7851 5.5313 5.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3843 4.5984 5.1378 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0724 5.9709 4.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0005 5.4727 2.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2141 3.1689 2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3943 1.8371 3.3007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4324 2.8313 4.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7745 2.0882 5.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 0.8168 5.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3854 -0.0614 3.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4367 1.4010 2.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4548 0.2597 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6648 0.8180 -0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4618 -1.6099 -0.6779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6966 -3.2505 0.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7071 -2.7330 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -2.6618 3.8704 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9587 -3.1727 2.4078 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8690 -0.3844 3.1782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5712 -0.8624 3.2613 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8468 -0.2847 0.7561 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2264 0.5755 1.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 -2.1828 0.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7227 -1.3131 0.9344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8735 -0.4366 -1.3702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5186 -1.0545 -1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 1.5847 -0.2466 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5159 1.3416 -1.8207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4616 0.3163 -0.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5519 0.5279 0.8692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6193 2.7711 0.7971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2510 2.8918 -0.9180 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 1.8662 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0667 3.4323 0.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6932 2.2395 2.6717 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2612 2.0472 1.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8207 -0.2698 1.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2067 -0.2701 1.8829 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 0.2385 4.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7373 -1.2594 3.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7730 -0.4830 3.8890 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5458 0.4894 2.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1870 1.2449 4.0485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3791 -1.7883 -3.0547 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3438 -0.2437 -3.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7413 -1.3712 -5.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1674 -2.9896 -4.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0552 -2.1082 -6.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3532 -0.6132 -5.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2448 -2.0780 -6.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1049 -1.7324 -4.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2668 -4.2168 -6.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8034 -4.0974 -4.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8929 -5.4039 -4.9366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5949 -3.9974 -5.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7590 -2.6527 -3.7663 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5332 -4.2231 -3.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3830 -3.6467 -1.5763 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7861 -3.5514 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 -5.9066 -3.0329 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6649 -5.9128 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3572 -5.0969 -0.1065 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -5.1831 -1.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1503 -7.0984 0.4971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7121 -7.5535 -0.1705 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0764 -7.7451 -1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8325 -9.0593 -0.7449 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2017 -7.8246 -3.4976 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8779 -9.4438 -2.9411 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2687 -8.8323 -3.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5813 -8.4128 -2.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9949 -10.0523 -2.4657 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 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 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 1 0 26 27 1 0 27 28 2 0 27 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 40 41 1 0 24 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 4 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 0 6 71 1 0 7 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 13 81 1 0 14 82 1 0 14 83 1 0 15 84 1 0 16 85 1 0 17 86 1 0 17 87 1 0 18 88 1 0 18 89 1 0 19 90 1 0 19 91 1 0 23 92 1 0 23 93 1 0 24 94 1 6 25 95 1 0 25 96 1 0 29 97 1 0 29 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 36111 1 0 36112 1 0 37113 1 0 37114 1 0 38115 1 0 38116 1 0 39117 1 0 39118 1 0 40119 1 0 40120 1 0 41121 1 0 41122 1 0 41123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 47128 1 0 47129 1 0 48130 1 0 48131 1 0 49132 1 0 49133 1 0 50134 1 0 50135 1 0 51136 1 0 51137 1 0 52138 1 0 52139 1 0 53140 1 0 53141 1 0 54142 1 0 54143 1 0 55144 1 0 55145 1 0 56146 1 0 56147 1 0 57148 1 0 57149 1 0 58150 1 0 58151 1 0 58152 1 0 M END