HMDB0296355 RDKit 3D DG(20:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0) 123122 0 0 0 0 0 0 0 0999 V2000 17.7042 0.6339 -1.6320 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2314 0.6288 -1.2191 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4258 0.2165 -2.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6496 -0.8510 -2.3251 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5272 -1.6841 -1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2168 -3.0127 -1.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3161 -1.3307 -0.2736 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3079 0.0471 0.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4594 0.9934 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5599 1.9982 -0.1732 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3817 1.7671 -0.8179 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1640 0.3828 -1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5818 0.3144 -2.6592 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4596 -0.2575 -2.9600 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5586 -0.9675 -2.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9859 -1.2016 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5345 -0.8080 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4686 -0.0281 0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.3852 0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4447 -0.8185 -0.2436 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1220 -0.3420 -0.7692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9326 -0.0195 -1.9238 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1211 -0.2753 0.1170 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8254 0.0549 0.2557 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0895 -1.1102 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0058 -2.0929 -0.3130 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7069 1.0873 1.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6617 1.2404 1.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1124 2.0071 2.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1608 2.5760 3.4370 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4860 2.2738 3.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9195 1.0059 3.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9131 -0.2208 3.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8332 -0.4485 2.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9696 0.4959 0.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9208 0.1159 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3131 -0.2002 0.2202 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9631 0.7811 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4598 0.4516 1.3667 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1497 0.8592 0.1140 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5880 0.5292 0.0859 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3268 0.9740 1.3111 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8210 0.7828 0.9708 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0725 -0.5645 0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.5775 -0.7227 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0260 0.4335 -0.7198 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3850 0.4432 -1.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6382 -0.4890 -2.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4941 -1.9385 -2.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8992 1.5397 -2.2385 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9954 -0.2548 -2.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 18.3270 0.7336 -0.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9610 1.6666 -0.8957 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1890 -0.0533 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4763 0.8136 -3.3318 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0458 -1.1378 -3.2315 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4115 -1.8066 -0.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8782 -3.2039 -2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3170 -2.0468 0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4458 -1.6272 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1366 0.2854 0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5300 1.8820 0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6600 3.0456 0.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7176 2.5857 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0681 -0.3445 -0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 0.1391 -1.6191 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1496 0.8144 -3.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1320 -0.2172 -4.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5584 -0.4716 -2.1562 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -1.9836 -2.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8538 -1.9554 -0.6106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2179 -1.2113 1.3338 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8722 0.9170 1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0048 -0.5648 1.8638 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5532 1.0011 -0.7417 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5914 1.0475 0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2440 -1.4276 0.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -1.4767 -0.9173 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3863 0.4740 -0.6602 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1634 -1.4835 1.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1424 -0.7471 0.6398 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8390 -2.6418 -0.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0997 2.0343 0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3128 0.7566 2.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0942 2.6299 2.4077 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4238 3.0578 4.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0748 0.8708 4.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8102 1.1797 4.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0830 -1.0812 3.8724 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8561 -0.4000 2.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8626 -0.7617 2.3966 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4994 -1.4375 1.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0165 0.7536 0.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3711 1.5074 1.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9399 0.9674 -0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4991 -0.7986 -0.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3822 -1.2566 0.6388 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9114 -0.2464 -0.7218 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5308 0.8266 2.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9921 1.8166 0.7432 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5656 -0.6164 1.6512 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8105 1.0912 2.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9887 1.9707 -0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7061 0.3437 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0606 0.9834 -0.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6719 -0.5982 -0.0374 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1104 2.0108 1.5318 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1062 0.3399 2.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3280 0.8340 1.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1184 1.6012 0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7740 -1.3766 1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5539 -0.7192 -0.5668 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1399 -0.7642 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6740 -1.6988 -0.4416 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9973 1.3499 0.0077 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2838 0.7658 -1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1639 0.2160 -0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6333 1.5176 -1.6123 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9055 -0.1899 -3.2896 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6522 -0.2534 -2.9119 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1667 -2.4402 -2.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4658 -2.2905 -2.4634 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8028 -2.2423 -1.2011 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 5 7 1 0 7 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 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 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 24 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 4 56 1 0 5 57 1 0 6 58 1 0 7 59 1 0 7 60 1 0 8 61 1 0 9 62 1 0 10 63 1 0 11 64 1 0 12 65 1 0 12 66 1 0 13 67 1 0 14 68 1 0 15 69 1 0 15 70 1 0 16 71 1 0 17 72 1 0 18 73 1 0 18 74 1 0 19 75 1 0 19 76 1 0 20 77 1 0 20 78 1 0 24 79 1 6 25 80 1 0 25 81 1 0 26 82 1 0 27 83 1 0 27 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 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 49123 1 0 M END