HMDB0011550 RDKit 3D MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0) 63 62 0 0 0 0 0 0 0 0999 V2000 -10.0501 2.3634 -2.7849 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3572 2.4983 -1.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2327 1.1872 -0.7655 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0875 0.6606 -0.4553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7915 1.2939 -0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0042 1.5301 0.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8274 1.0251 0.6899 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1747 0.1484 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9241 -1.1474 0.3708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7622 -1.7187 0.5245 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5522 -1.0117 -0.0386 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 -0.7189 1.0538 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6229 -1.0887 1.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2503 -1.8574 0.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 -1.1290 -0.5268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6412 -1.6667 -0.5109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9350 -2.9897 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8188 -2.9990 1.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1411 -2.3390 1.1300 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1445 -0.8666 1.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1565 -0.1462 1.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 -0.2024 0.7017 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4915 1.1639 0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4572 1.7537 1.5785 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5306 3.1221 1.3239 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0069 1.5488 -0.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1188 1.1441 -1.7580 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0621 1.9281 -2.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2259 3.3528 -3.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4432 1.6914 -3.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4885 3.1341 -1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0899 3.0814 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1850 0.6343 -0.5274 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0893 -0.3165 0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2960 0.7014 -1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9054 2.3059 -1.2182 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4140 2.1707 1.2834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2623 1.2197 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2446 0.6972 -0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 -0.0628 -1.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7970 -1.6518 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5858 -2.6633 1.0252 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7536 -0.2322 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 -1.8619 -0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9901 -0.1394 1.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 -0.8505 1.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4200 -2.8778 0.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -1.9191 -0.8760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3459 -0.1323 -0.9416 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 -1.0783 -0.9805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0217 -3.5854 0.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5351 -3.5690 -0.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -4.0633 1.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2865 -2.5218 2.0932 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7391 -2.7517 0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7194 -2.6316 2.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5142 1.6671 0.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0876 1.6491 2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4696 1.3388 1.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6684 3.4890 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2535 2.6297 -0.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 1.0193 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6071 0.6406 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 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 23 26 1 0 26 27 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 4 34 1 0 5 35 1 0 5 36 1 0 6 37 1 0 7 38 1 0 8 39 1 0 8 40 1 0 9 41 1 0 10 42 1 0 11 43 1 0 11 44 1 0 12 45 1 0 13 46 1 0 14 47 1 0 14 48 1 0 15 49 1 0 16 50 1 0 17 51 1 0 17 52 1 0 18 53 1 0 18 54 1 0 19 55 1 0 19 56 1 0 23 57 1 0 24 58 1 0 24 59 1 0 25 60 1 0 26 61 1 0 26 62 1 0 27 63 1 0 M END