HMDB0007178 RDKit 3D DG(18:0/22:5(7Z,10Z,13Z,16Z,19Z)/0:0) 122121 0 0 0 0 0 0 0 0999 V2000 -13.0394 -2.1148 -1.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4387 -0.9137 -2.5362 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8406 -0.4995 -2.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2534 0.6457 -1.8385 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3913 1.7963 -1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7712 2.1499 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1623 2.2751 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6970 2.0773 1.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6217 1.0443 2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9454 -0.0488 2.3314 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0486 -0.6798 1.3700 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8279 0.0299 0.1370 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6780 0.5128 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4055 0.5049 0.4177 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1257 -0.0074 1.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3186 -0.9675 2.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5069 -1.7346 1.0517 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0406 -1.6869 1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3812 -0.3662 1.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3983 0.2630 -0.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6563 1.5987 0.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2691 1.2641 0.4916 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8649 1.6939 1.5998 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4362 0.5004 -0.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1164 0.2141 0.1810 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0567 -1.2459 0.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8994 -1.7076 1.3821 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9041 0.7657 -0.7614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2294 0.5617 -0.4919 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 -0.5605 -0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5143 -1.6298 -1.0513 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4186 -0.5102 -0.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1931 -0.4750 -1.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 -0.3866 -1.3680 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4140 -1.4766 -0.7368 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1978 -1.8814 0.6456 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2920 -0.9559 1.7761 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5160 -0.2363 2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9852 0.7171 1.0689 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2455 1.4556 1.5265 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6519 2.4038 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9573 1.7621 -0.8721 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0696 0.7478 -0.8048 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3768 1.3006 -0.3489 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4251 0.2149 -0.2986 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6148 -0.3948 -1.6494 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6852 -1.4674 -1.5453 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9920 -0.9087 -1.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2442 -3.0832 -2.2594 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6174 -2.1925 -0.7854 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9467 -2.1430 -1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4422 -1.3140 -3.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7150 -0.1020 -2.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6064 -1.2692 -2.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.3521 0.8425 -1.7163 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6207 2.6078 -2.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3563 1.5219 -1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9054 2.3697 0.0510 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7288 2.5701 2.0074 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3024 3.0735 1.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2304 1.9327 0.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2528 1.2589 3.3103 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1071 -0.6552 3.3207 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1731 -1.0301 1.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6530 -1.6715 1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6955 0.1446 -0.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6691 1.0438 -1.2350 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6684 0.1133 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0540 1.6130 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6244 0.4759 2.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1843 -1.2833 3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6726 -1.5225 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7902 -2.8384 1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4562 -2.3641 0.6671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -2.1685 2.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 -0.4777 1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7966 0.3471 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8217 -0.4171 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4233 0.4157 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6660 2.1406 -0.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1619 2.1686 0.8645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0021 0.7585 1.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0255 -1.4027 0.9882 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0398 -1.9007 -0.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6631 -2.1063 0.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6365 0.4215 -1.8305 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7742 1.8971 -0.8664 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 0.4240 0.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5755 -1.3501 0.4607 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 0.4079 -2.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 -1.3514 -2.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9989 0.6383 -1.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0332 -0.3623 -2.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0618 -2.4271 -1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4794 -1.4568 -1.1002 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0976 -2.6307 0.8459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3588 -2.6249 0.7306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0288 -1.5865 2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4388 -0.2059 1.8047 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3190 0.3565 3.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3535 -0.9576 2.3235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2824 0.1490 0.1857 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2415 1.5152 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0261 0.7330 1.7887 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9346 2.0855 2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7407 3.0522 0.2527 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4211 3.1328 0.7658 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2538 2.5806 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0566 1.2745 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2208 0.4198 -1.8780 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7934 -0.1470 -0.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3443 1.7690 0.6466 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7237 2.1210 -1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0434 -0.5434 0.4431 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3714 0.6097 0.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6743 -0.9542 -1.9224 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8229 0.3405 -2.4272 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8322 -1.8884 -2.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2901 -2.2751 -0.8916 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1516 -0.9429 0.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0376 0.1549 -1.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8024 -1.4788 -1.5568 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 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 1 49 1 0 1 50 1 0 1 51 1 0 2 52 1 0 2 53 1 0 3 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 8 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 14 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 18 75 1 0 19 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 1 26 83 1 0 26 84 1 0 27 85 1 0 28 86 1 0 28 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 48122 1 0 M END