HMDB0294941 RDKit 3D DG(13:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/0:0) 102101 0 0 0 0 0 0 0 0999 V2000 14.2799 3.8433 0.4061 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6187 2.9522 -0.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7219 1.9379 0.0783 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1043 1.0940 -1.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2223 0.0527 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1183 0.6709 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2602 -0.4053 1.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6241 -1.3098 -0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8216 -2.3408 0.7057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7510 -1.8450 1.5669 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5854 -1.1526 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6534 0.0982 0.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1837 0.4739 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4028 0.5035 0.9722 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7427 0.7641 -1.2554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4358 1.1092 -1.6281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5005 -0.0152 -1.2649 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0081 -1.2880 -1.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1884 -2.3331 -1.4952 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1737 0.1802 -1.6427 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9211 0.1505 -0.7960 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7606 -0.0549 0.4081 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3148 0.3639 -1.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8338 -0.9783 -1.7494 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9109 -1.9034 -0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3790 -3.1985 -0.9778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4663 -3.7607 -0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3572 -3.1514 0.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6959 -3.0310 -0.2170 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3887 -1.9578 -0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9335 -0.6444 -0.0987 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7455 0.1067 0.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8240 -0.2557 1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5691 -1.4837 1.4765 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9311 -1.5980 1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7661 -0.7572 0.5028 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4289 0.6070 0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3443 1.3915 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0538 2.7952 -0.5683 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7274 3.1501 -0.3093 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9587 3.7384 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9052 3.6507 1.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5961 4.6311 0.7869 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6030 3.2256 1.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1763 4.3395 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3577 2.4424 -1.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9508 3.5805 -1.2422 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9222 2.5571 0.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2614 1.3764 0.8474 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8715 0.5901 -1.6318 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4483 1.7554 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8288 -0.5714 -1.2212 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7715 -0.6409 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4826 1.3388 -0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5154 1.3169 1.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3929 0.0609 1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 -1.0548 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1088 -0.6897 -0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4862 -1.8647 -0.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 -2.9397 1.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4655 -3.1503 -0.0128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1684 -1.2274 2.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3311 -2.7570 2.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8591 -0.9607 1.9007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0403 -1.9066 0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 0.9274 0.8735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0658 0.0497 -0.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4422 1.1847 -2.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1185 2.0778 -1.1777 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5897 -0.1976 -0.1746 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9680 -1.1560 -3.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0469 -1.4521 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 -3.1592 -1.4665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9362 0.7284 -0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3155 1.0366 -2.2034 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8718 -0.9379 -2.1370 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1237 -1.4735 -2.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8634 -1.9937 -0.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4731 -1.3573 0.2133 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7333 -3.7123 -1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7670 -4.7578 -0.9418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0329 -2.2949 0.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5131 -3.9562 1.2095 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1504 -3.9865 -0.5316 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3694 -2.0484 -0.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8791 -0.6169 0.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8832 -0.0323 -1.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3941 1.1643 1.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2003 0.5685 2.1832 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6787 -1.7103 2.6490 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0217 -2.4214 1.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3897 -2.6336 1.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8003 -1.1052 0.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4772 1.0328 0.4220 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3190 1.0015 -0.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2633 2.9415 -1.6683 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2735 3.3409 -1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0115 3.6018 -0.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6575 4.7881 -0.1185 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9436 4.0008 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7146 4.3350 2.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1461 2.6029 1.9726 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 1 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 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 17 20 1 0 20 21 1 0 21 22 2 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 1 0 32 33 2 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 2 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 0 7 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 0 12 67 1 0 16 68 1 0 16 69 1 0 17 70 1 1 18 71 1 0 18 72 1 0 19 73 1 0 23 74 1 0 23 75 1 0 24 76 1 0 24 77 1 0 25 78 1 0 25 79 1 0 26 80 1 0 27 81 1 0 28 82 1 0 28 83 1 0 29 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 38 95 1 0 39 96 1 6 40 97 1 0 41 98 1 0 41 99 1 0 42100 1 0 42101 1 0 42102 1 0 M END