HMDB0296788 RDKit 3D DG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/22:0/0:0) 131130 0 0 0 0 0 0 0 0999 V2000 -18.4489 -0.7507 2.8326 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5983 0.6000 2.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2693 0.3742 0.8499 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7720 0.6698 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4561 1.2792 -0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6226 0.3295 -1.3942 C 0 0 1 0 0 0 0 0 0 0 0 0 -17.3396 0.1731 -2.6039 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3157 0.8762 -1.7385 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2172 0.4935 -1.1002 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9055 1.0036 -1.4031 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8611 0.5769 -0.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5234 1.0315 -0.9479 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4802 0.6327 -0.2611 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6152 -0.3124 0.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6122 -0.7280 1.5237 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2254 -0.3340 1.3823 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9103 0.8067 0.7322 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4432 -1.5702 0.9388 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6411 -1.8254 -0.3867 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0421 -1.5078 1.4210 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2090 -0.3702 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0553 -0.4001 -0.5382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1823 0.7706 -0.9312 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6699 1.8837 -1.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8033 0.6483 -0.9356 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9027 1.6787 -1.2934 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5105 1.1085 -1.1001 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7733 0.0233 -2.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0650 -0.4369 -2.0786 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7164 0.7433 0.2252 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6155 1.4085 1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2360 2.3705 0.4995 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8229 1.0700 2.4514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6623 -0.0208 2.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0906 -0.1680 2.7769 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8353 -0.4309 1.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8084 0.4696 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8809 0.0107 -0.6574 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6155 -1.3334 -1.1756 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6290 -1.8816 -2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9902 -1.2598 -3.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6382 0.0608 -3.3942 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9517 0.0946 -2.6197 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9451 -0.8736 -3.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2343 -0.8419 -2.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0368 -1.1946 -0.9496 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3196 -1.1935 -0.1704 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0173 0.1366 -0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3101 0.0609 0.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0425 1.3631 0.6728 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3134 1.2619 1.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9971 0.8736 2.9294 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3093 0.7918 3.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4025 -1.3178 2.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6921 -1.3915 2.3414 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1529 -0.6516 3.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.5959 1.0316 2.0966 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2612 1.1998 2.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.2843 -0.0850 0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3675 0.4523 -1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6351 2.1999 -1.1679 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.9838 1.5508 0.3788 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5775 -0.6844 -0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0507 -0.6883 -3.0228 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2087 1.6062 -2.5218 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3678 -0.2456 -0.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7622 1.7193 -2.1802 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0785 -0.1412 0.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3395 1.7631 -1.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5008 1.0549 -0.5617 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6295 -0.7277 1.0623 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8664 -1.4651 2.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8201 -0.1916 2.4729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9458 1.6058 1.3369 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9287 -2.4300 1.4949 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5917 -2.0488 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 -2.4457 1.1392 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0913 -1.4666 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 0.6231 1.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -0.4371 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0047 -0.3722 -1.0755 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5493 -1.3534 -0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0786 1.9466 -2.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 2.6025 -0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1803 1.9659 -1.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5073 0.4683 -3.1154 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0209 -0.8043 -1.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0569 -1.3753 -1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7755 0.8640 2.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0597 2.0439 3.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1643 -1.0125 2.5016 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3680 -0.2440 4.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4248 -0.9674 3.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5500 0.8165 3.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3963 -1.4455 1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9086 -0.7666 1.8046 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8354 0.3990 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0527 1.5074 0.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8445 0.1863 -0.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7258 0.8051 -1.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6419 -1.2715 -1.7881 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3651 -2.0742 -0.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 -2.0235 -1.5211 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 -2.9819 -2.2650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5784 -1.9691 -4.0262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0269 -1.1495 -3.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9007 0.2488 -4.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0330 0.9138 -3.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3688 1.1171 -2.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7498 -0.0666 -1.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5864 -1.9360 -3.1114 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1799 -0.6900 -4.2408 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9166 -1.5897 -2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7356 0.1520 -2.4610 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3781 -0.4331 -0.4453 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5015 -2.1621 -0.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1168 -1.5388 0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0078 -1.9838 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3275 0.3934 -1.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3274 0.8975 0.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9024 -0.7601 0.2114 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9894 -0.2689 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4221 2.1989 1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3769 1.5900 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9797 0.5085 1.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8145 2.2421 1.4551 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3196 1.6074 3.3715 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5780 -0.1592 2.9213 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1818 1.0501 3.0630 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4875 -0.2111 4.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3051 1.5116 4.5460 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 1 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 27 30 1 0 30 31 1 0 31 32 2 0 31 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 43 44 1 0 44 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 1 54 1 0 1 55 1 0 1 56 1 0 2 57 1 0 2 58 1 0 3 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 1 7 64 1 0 8 65 1 0 9 66 1 0 10 67 1 0 11 68 1 0 12 69 1 0 13 70 1 0 14 71 1 0 15 72 1 0 16 73 1 1 17 74 1 0 18 75 1 1 19 76 1 0 20 77 1 0 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 26 83 1 0 26 84 1 0 27 85 1 6 28 86 1 0 28 87 1 0 29 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 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 52127 1 0 52128 1 0 53129 1 0 53130 1 0 53131 1 0 M END