HMDB0295511 RDKit 3D DG(16:0/18:1(12Z)-O(9S,10R)/0:0) 111111 0 0 0 0 0 0 0 0999 V2000 -14.5119 0.3229 0.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6275 0.0290 2.3154 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3856 -0.6697 2.8334 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1491 0.1553 2.6442 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9759 -0.6476 3.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7089 0.0628 3.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6915 -0.3747 2.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6629 -1.6461 1.6656 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4123 -1.3946 0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3637 -2.5359 -0.6393 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1618 -1.9257 -0.3832 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5343 -1.0595 -1.4569 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2128 0.2943 -0.8084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2379 0.0619 0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 1.2542 1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7849 2.2164 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8410 2.8124 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4060 1.9289 -1.9427 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 1.5737 -1.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2691 2.1010 -0.9507 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3538 0.6890 -2.6906 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 0.2802 -2.7035 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0466 -1.2224 -2.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8099 -1.8701 -3.3481 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6360 0.4839 -4.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9778 0.0987 -4.0954 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0222 0.6284 -3.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 1.5449 -2.5524 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4122 0.1584 -3.4773 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3129 0.9132 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0370 0.7587 -1.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 1.4419 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2774 1.0323 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3108 0.6902 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2506 -0.6243 -1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4423 -0.7630 -2.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7426 -1.0733 -1.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5978 -0.5793 -0.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5122 -0.8421 0.6774 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4168 -0.4910 1.5393 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5982 -0.9214 3.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8170 -0.2411 3.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9731 -0.6432 5.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8513 -0.4510 0.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5329 0.2797 0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0418 1.3155 0.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7744 0.9578 2.8791 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4835 -0.6647 2.4884 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5209 -0.8527 3.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2219 -1.6475 2.3405 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9749 0.3539 1.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3032 1.1145 3.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2132 -0.7992 4.2969 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0477 -1.6349 2.7594 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6448 1.0411 3.5878 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7862 0.2526 2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5306 -2.3114 1.8058 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7907 -2.2778 2.0419 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9453 -0.5422 -0.2997 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4193 -2.4041 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3240 -0.8921 -2.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6244 -1.5020 -1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2104 0.5199 -0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0328 1.0700 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7340 -0.6282 1.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4045 -0.5733 -0.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6872 1.8883 1.3377 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3953 0.9649 2.0719 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7175 1.8350 0.7321 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8230 3.1356 1.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8970 3.1293 -1.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2339 3.7621 -0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4193 2.5551 -2.9005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 1.0159 -2.1384 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6205 0.7479 -1.9316 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6384 -1.2959 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9432 -1.6495 -2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4159 -2.7430 -3.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4892 1.5692 -4.3099 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1084 -0.1613 -4.8032 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5017 -0.9455 -3.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7666 0.3940 -4.5162 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0512 2.0366 -2.8267 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3305 0.8629 -2.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9855 1.0477 -0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1448 -0.3577 -0.8888 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3739 1.6397 0.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9732 2.5685 -0.5169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7187 1.8378 0.9567 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2217 0.1008 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2248 1.4626 -1.6552 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3303 0.9390 -0.4401 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3484 -0.8430 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2399 -1.4213 -0.6304 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1625 -1.4609 -3.2007 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5636 0.2194 -2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4097 -1.1118 -2.8121 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7044 -2.2536 -1.5925 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6471 0.5931 -0.8851 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7203 -0.7706 -1.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5107 -0.4401 1.1564 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7521 -1.9811 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4603 -0.9484 1.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2756 0.6421 1.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6422 -2.0066 3.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6731 -0.5643 3.5153 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7312 0.8446 3.4411 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7673 -0.5915 3.0767 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7438 0.0139 5.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9700 -0.5083 5.4622 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3311 -1.6790 5.0574 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 22 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 41 42 1 0 42 43 1 0 11 9 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 7 56 1 0 8 57 1 0 8 58 1 0 9 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 13 64 1 0 14 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 16 70 1 0 17 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 22 75 1 1 23 76 1 0 23 77 1 0 24 78 1 0 25 79 1 0 25 80 1 0 29 81 1 0 29 82 1 0 30 83 1 0 30 84 1 0 31 85 1 0 31 86 1 0 32 87 1 0 32 88 1 0 33 89 1 0 33 90 1 0 34 91 1 0 34 92 1 0 35 93 1 0 35 94 1 0 36 95 1 0 36 96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 43111 1 0 M END