HMDB0072702 RDKit 3D TG(10:0/18:0/i-12:0) 131130 0 0 0 0 0 0 0 0999 V2000 1.6697 -7.2733 -0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0936 -5.8826 -0.3023 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2338 -4.9147 -0.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6332 -3.5416 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7254 -2.5191 0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6496 -2.3957 -0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9574 -1.9330 -2.0038 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9892 -1.8855 -3.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5113 -1.4143 -4.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3912 -2.2966 -4.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9283 -1.7976 -6.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4397 -0.3897 -6.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2645 -0.1453 -5.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9660 -0.8877 -5.7680 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1590 -0.6329 -4.8978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0035 -1.0651 -3.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2926 -0.6925 -2.7437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3624 -1.0795 -1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8345 -2.2055 -1.0391 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9307 -0.2517 -0.3259 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0394 -0.6624 1.0323 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7083 -0.8213 1.6599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9523 0.3807 1.6447 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3226 0.3814 2.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6968 -0.6905 2.7668 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1604 1.5863 2.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8466 2.5841 3.3139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9728 2.1526 4.7386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3789 1.7443 5.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6016 1.3634 6.4636 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7891 0.2109 6.9140 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0800 -1.0584 6.1805 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1552 -2.1340 6.7522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3500 -3.4689 6.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9434 0.1980 1.8316 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5742 1.5704 1.8966 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3904 2.4436 2.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4276 1.9373 3.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1838 3.8806 2.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7139 4.7273 1.6519 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0036 4.3545 0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5224 4.5617 0.4578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8787 4.1860 -0.8836 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3781 4.3959 -0.7972 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 4.0620 -2.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0987 4.9003 -3.2362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6919 4.5012 -4.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1648 4.7069 -4.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2549 5.3992 -5.6180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5960 -7.4099 0.0284 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9202 -8.0072 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8870 -7.4150 -1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4809 -5.6183 -1.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4615 -5.9710 0.6112 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7949 -5.2268 0.8397 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9037 -4.8495 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9278 -3.2754 -0.5959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 -3.6231 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3175 -2.8688 1.2968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2610 -1.5614 0.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2387 -3.3055 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3814 -1.5785 -0.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1003 -2.5714 -2.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 -0.8919 -1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3833 -2.9170 -3.2116 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8364 -1.2604 -2.7239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2660 -0.3389 -4.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3576 -1.5538 -5.1420 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8207 -3.3062 -5.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5368 -2.3856 -4.2671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7048 -1.9437 -7.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0793 -2.4474 -6.5892 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 0.3542 -6.0667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0808 -0.1440 -7.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 0.9431 -5.4104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5416 -0.3278 -4.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7648 -1.9765 -5.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2361 -0.5121 -6.7884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -1.1017 -5.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3564 0.4677 -4.8799 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 -0.6653 -2.9515 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9993 -2.1926 -3.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 0.4374 -2.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1797 -1.0407 -3.3412 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5198 -1.7049 1.0383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1647 -1.6351 1.0968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7830 -1.2234 2.7024 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1808 2.0904 1.2503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2572 1.3171 2.4026 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4596 3.5301 3.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 2.9677 3.1275 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2317 1.3512 4.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6646 3.0102 5.4120 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 0.8933 4.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 2.5653 4.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6891 1.1091 6.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4506 2.2468 7.1267 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8879 0.0240 8.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7189 0.4521 6.7439 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1566 -1.3761 6.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9567 -0.9951 5.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3216 -2.1598 7.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 -1.8153 6.5506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3993 -4.0558 6.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 -3.3940 5.0926 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0360 -4.1080 6.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9942 -0.2121 2.8816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0026 0.0989 1.4625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0976 4.0826 2.8737 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6303 4.2088 3.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6938 5.7918 1.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7979 4.4221 1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3908 4.9335 -0.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2026 3.2555 0.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0492 3.8447 1.1890 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2278 5.5563 0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1197 3.1572 -1.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2744 4.9166 -1.6145 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1301 5.4431 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0049 3.7668 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4274 4.3010 -1.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3354 2.9844 -2.3253 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1751 4.7955 -3.4373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1038 5.9760 -3.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4939 3.4476 -4.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6462 3.8204 -3.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4009 5.6056 -3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6915 4.8239 -5.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8382 5.5917 -5.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8433 6.3464 -5.5200 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 4.9493 -6.5883 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 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 21 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 47 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 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 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 6 22 86 1 0 22 87 1 0 26 88 1 0 26 89 1 0 27 90 1 0 27 91 1 0 28 92 1 0 28 93 1 0 29 94 1 0 29 95 1 0 30 96 1 0 30 97 1 0 31 98 1 0 31 99 1 0 32100 1 0 32101 1 0 33102 1 0 33103 1 0 34104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 48126 1 0 48127 1 0 48128 1 0 49129 1 0 49130 1 0 49131 1 0 M END