HMDB0297384 RDKit 3D DG(18:1(12Z)-O(9S,10R)/a-13:0/0:0) 102102 0 0 0 0 0 0 0 0999 V2000 11.8216 2.5472 -2.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8935 1.2755 -1.3107 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8091 1.6227 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5562 2.3161 0.5357 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3449 1.4348 0.3269 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 0.2455 1.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5274 -0.9857 0.7847 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3333 -1.3966 -0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1127 -2.3099 -0.6992 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 -2.8093 -1.9399 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -1.8448 -1.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5542 -2.3045 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -1.7913 -1.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1034 -2.3047 -0.9032 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9967 -1.8522 0.5283 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6801 -2.4221 1.0858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5443 -1.9914 2.5380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5075 -0.4945 2.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3240 0.1137 1.9923 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2916 1.3556 1.9100 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -0.6234 1.4618 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8379 -0.1813 0.7981 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6355 0.6812 1.7487 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9410 -0.1413 2.9773 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7436 -1.2286 2.6914 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8435 1.1492 1.2112 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0579 2.5207 1.0097 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1081 3.2740 1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3396 3.0246 0.4460 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3571 3.0558 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1261 1.8127 -1.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9520 0.6174 -1.6660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3713 0.5889 -2.0247 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3804 1.3204 -1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5531 0.8080 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0203 -0.5630 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3129 -1.0897 -0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4871 -0.3123 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6702 -1.6636 -1.3049 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6316 -0.8883 -2.5494 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8795 3.0981 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7310 3.1336 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8345 2.2241 -3.2223 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1040 0.6049 -1.6344 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9023 0.8285 -1.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9007 0.6453 0.7088 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7106 2.2342 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6093 2.5204 1.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4410 3.2805 -0.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4613 2.0318 0.6664 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2351 1.2282 -0.7351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6809 0.4650 2.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6852 -1.7594 1.5629 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1574 -0.6092 -1.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2100 -2.0307 -0.9290 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9660 -2.9655 0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9171 -0.9005 -1.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5495 -3.3978 -0.7202 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5296 -1.8997 0.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3457 -2.1491 -2.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3282 -0.7020 -1.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1950 -2.0671 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1613 -3.4309 -0.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8195 -2.3403 1.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0520 -0.7679 0.6375 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 -2.0238 0.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7711 -3.5096 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3552 -2.3747 3.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5735 -2.3793 2.9057 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4382 0.0100 2.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3368 -0.2874 3.7706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3958 -1.0653 0.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5187 0.3813 -0.1115 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9730 1.5524 1.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4623 0.5133 3.7283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9781 -0.4133 3.4382 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 -0.9172 2.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3536 4.1258 0.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2387 2.6231 0.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2623 3.6274 -1.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5241 3.7877 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9924 2.1284 -2.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0149 1.5391 -1.5534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4507 -0.1725 -2.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8462 0.1017 -0.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4934 0.8105 -3.1211 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6785 -0.5170 -1.9484 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3494 1.3269 -1.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1463 2.4284 -1.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4939 0.8249 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0734 1.5738 0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8263 -0.8579 1.4683 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2361 -1.2414 -0.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3983 -2.0732 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2848 -0.2435 1.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5864 0.6916 0.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3720 -0.9443 0.4686 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1154 -2.6376 -1.5065 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7490 -2.0666 -1.2219 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2213 0.0787 -2.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2691 -1.4680 -3.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6802 -0.7724 -3.0656 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 2 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 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 23 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 37 39 1 0 39 40 1 0 11 9 1 0 1 41 1 0 1 42 1 0 1 43 1 0 2 44 1 0 2 45 1 0 3 46 1 0 3 47 1 0 4 48 1 0 4 49 1 0 5 50 1 0 5 51 1 0 6 52 1 0 7 53 1 0 8 54 1 0 8 55 1 0 9 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 18 70 1 0 18 71 1 0 22 72 1 0 22 73 1 0 23 74 1 1 24 75 1 0 24 76 1 0 25 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 35 90 1 0 35 91 1 0 36 92 1 0 36 93 1 0 37 94 1 0 38 95 1 0 38 96 1 0 38 97 1 0 39 98 1 0 39 99 1 0 40100 1 0 40101 1 0 40102 1 0 M END