HMDB0295581 RDKit 3D DG(16:0/0:0/18:3(9,11,15)-OH(13)) 109108 0 0 0 0 0 0 0 0999 V2000 15.2536 2.3482 1.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8786 2.3267 -0.3272 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8384 0.9209 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7125 0.3862 -1.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6894 -1.0140 -1.7659 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6770 -1.8486 -0.9981 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6705 -3.1469 -1.4457 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3415 -1.1842 -1.2103 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4467 -1.1222 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1240 -0.4857 -0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3296 -0.4992 0.6488 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9910 0.1169 0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7647 0.6771 -0.7870 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 1.3442 -0.9138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 0.3663 -0.6460 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2488 -0.7604 -1.5979 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 -1.7686 -1.4289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1360 -2.5839 -0.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9867 -1.7961 1.0271 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -1.8861 2.0138 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9366 -0.8918 1.1614 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8046 -0.1172 2.3549 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5790 0.7546 2.2329 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4449 1.5465 3.3862 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6093 -0.1997 2.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8180 0.4839 2.0722 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1957 1.3697 1.1046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3947 1.6052 0.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4996 2.0801 1.1073 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5424 1.2709 0.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6240 -0.0496 0.9441 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 -1.1082 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9600 -0.9712 0.3874 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5537 0.0528 -0.4738 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1054 -0.0312 -0.4126 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5718 0.2050 0.9716 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0306 0.2591 1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9022 -0.8907 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0521 -1.4697 -0.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5324 -0.4625 -1.3991 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8866 0.0790 -0.9476 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3652 1.0732 -1.9644 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6967 1.6378 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5365 1.7530 1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2973 1.9845 1.2895 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2786 3.4286 1.4555 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5660 2.9513 -0.9284 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8625 2.7779 -0.3876 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7384 0.3272 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8507 1.0294 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6958 -1.4482 -1.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4054 -0.9925 -2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9328 -1.7301 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2811 -3.6996 -0.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1134 -0.7499 -2.1689 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7482 -1.5846 0.6962 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8683 -0.0413 -1.3472 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6847 -0.9797 1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 0.9373 1.3539 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 -0.5726 0.9101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 1.4560 -0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8776 -0.0893 -1.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3488 2.1662 -0.1760 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3339 1.7678 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 0.0809 0.3905 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3362 0.9668 -0.8136 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2214 -1.3582 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.4337 -2.6700 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1884 -2.5157 -2.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1431 -1.2945 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0473 -3.2675 -0.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2284 -3.2466 -0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7326 0.4582 2.4554 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7039 -0.8660 3.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6618 1.3450 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 1.9626 3.3271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5708 -0.9021 2.9647 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4089 -0.7899 1.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 3.0432 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8657 2.1991 2.1394 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4443 1.9217 0.3743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1410 1.2147 -0.7369 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5522 -0.4681 0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7401 0.0853 2.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0824 -1.4855 -0.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2795 -2.0317 1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3920 -1.9726 0.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3401 -0.9247 1.4591 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3131 1.0978 -0.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2855 -0.1785 -1.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3108 -1.0415 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4355 0.7484 -1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0659 1.0809 1.4556 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2206 -0.7165 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1733 0.5734 2.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4434 1.1930 0.6802 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4965 -1.7433 1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9158 -0.7269 1.4659 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9513 -2.1835 -0.2888 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2193 -2.0604 -0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7017 -1.0348 -2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8005 0.3441 -1.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5748 -0.7576 -0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7739 0.6085 0.0247 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4560 0.5617 -2.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6116 1.8751 -2.0754 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3554 1.7748 -2.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6058 2.6301 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.2145 0.9270 -0.8777 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 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 23 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 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 4 50 1 0 5 51 1 0 5 52 1 0 6 53 1 0 7 54 1 0 8 55 1 0 9 56 1 0 10 57 1 0 11 58 1 0 12 59 1 0 12 60 1 0 13 61 1 0 13 62 1 0 14 63 1 0 14 64 1 0 15 65 1 0 15 66 1 0 16 67 1 0 16 68 1 0 17 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 22 73 1 0 22 74 1 0 23 75 1 6 24 76 1 0 25 77 1 0 25 78 1 0 29 79 1 0 29 80 1 0 30 81 1 0 30 82 1 0 31 83 1 0 31 84 1 0 32 85 1 0 32 86 1 0 33 87 1 0 33 88 1 0 34 89 1 0 34 90 1 0 35 91 1 0 35 92 1 0 36 93 1 0 36 94 1 0 37 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 39 99 1 0 39100 1 0 40101 1 0 40102 1 0 41103 1 0 41104 1 0 42105 1 0 42106 1 0 43107 1 0 43108 1 0 43109 1 0 M END