HMDB0299890 RDKit 3D DG(20:5(5Z,8Z,11Z,14Z,16E)-OH(18)/0:0/i-19:0) 120119 0 0 0 0 0 0 0 0999 V2000 20.5377 1.9101 2.4832 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2707 1.9416 1.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9348 0.6486 1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8026 0.0294 1.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8044 0.6450 2.1953 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0117 -0.4321 2.6621 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8419 1.5143 1.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1489 0.6560 0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8069 0.5030 0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1810 -0.3547 -0.5846 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9035 -0.5241 -0.6436 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9592 0.1388 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2256 -0.9480 0.9529 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9119 -1.0150 0.8825 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1548 0.0021 0.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4378 -0.4442 -1.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1583 -0.3324 -1.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1649 0.2203 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4813 1.4509 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4178 1.9043 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3364 0.8513 0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3505 -0.1060 1.0076 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2866 0.9883 -0.6439 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1554 0.2069 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4419 -1.2155 -1.1838 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0036 -1.9829 -0.1974 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5746 -1.8945 -1.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7293 -2.3969 -1.4782 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7968 -1.8006 -0.8941 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7797 -0.5567 -0.7633 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0107 -2.5305 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0225 -2.6335 -1.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3802 -1.2624 -2.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0462 -0.3862 -1.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3801 -0.9443 -0.5713 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3250 -1.0429 -1.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5321 0.2420 -2.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0803 1.4405 -1.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4036 1.6571 -1.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1217 1.0673 -0.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3150 -0.3855 -0.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2485 -0.9440 0.8703 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6815 -0.7236 0.7222 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2023 0.6472 0.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7422 0.6434 0.5888 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4106 -0.0372 1.7273 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9222 0.0547 1.4702 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1935 0.6395 3.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6786 2.9471 2.8798 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4115 1.6261 1.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 20.4163 1.1937 3.2960 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5161 2.6446 0.7873 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4467 2.4388 2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6504 0.1572 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6251 -0.9135 0.7973 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2296 1.1425 3.0687 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3891 -0.7525 1.9842 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1361 2.0136 2.1049 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3803 2.3497 0.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7069 0.1205 -0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3181 1.0726 1.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8651 -0.8651 -1.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4762 -1.1684 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2650 0.6939 -0.4124 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4975 0.8142 0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8263 -1.6955 1.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3782 -1.8424 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3032 0.2682 0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5886 0.9815 0.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0031 -0.9065 -1.8804 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7485 -0.7150 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4338 0.4277 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3224 -0.5488 -0.1922 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1809 2.2459 -1.0816 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9859 1.1463 -1.7773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7435 2.0534 1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9563 2.8710 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4511 0.6548 -1.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4741 0.2664 0.1221 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3449 -1.0804 -1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2622 -2.8492 -0.6156 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0837 -2.7433 -2.6054 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8381 -1.1812 -2.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7818 -3.5270 -0.0061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -1.9420 0.3911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5187 -3.1756 -2.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8891 -3.1805 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9549 -1.3317 -2.9777 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4239 -0.7145 -2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1736 0.6227 -1.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4266 -0.2376 -0.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2133 -1.9711 -0.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8095 -0.3507 0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7702 -1.7159 -2.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2083 -1.6049 -1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5534 0.4885 -2.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2135 0.0096 -3.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8187 2.2986 -2.5616 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3618 1.7665 -0.9268 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1531 1.6029 -2.2142 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4843 2.8223 -1.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4440 1.3156 0.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0139 1.7069 0.0727 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2966 -0.8194 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5112 -0.7535 -1.1645 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0908 -2.0682 0.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9342 -0.5947 1.9154 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1939 -1.2625 1.5853 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0648 -1.2680 -0.2154 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8343 1.3068 1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9388 1.0720 -0.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0543 1.7141 0.5309 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.9942 0.1560 -0.3518 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1805 -1.1098 1.7693 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.4833 -0.5384 2.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1959 1.1194 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1192 -0.2774 0.4159 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8429 1.5464 3.1657 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1478 0.9667 3.2305 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4755 -0.0486 3.8815 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 25 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 46 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 6 57 1 0 7 58 1 0 7 59 1 0 8 60 1 0 9 61 1 0 10 62 1 0 11 63 1 0 12 64 1 0 12 65 1 0 13 66 1 0 14 67 1 0 15 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 18 73 1 0 19 74 1 0 19 75 1 0 20 76 1 0 20 77 1 0 24 78 1 0 24 79 1 0 25 80 1 6 26 81 1 0 27 82 1 0 27 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 37 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 40102 1 0 40103 1 0 41104 1 0 41105 1 0 42106 1 0 42107 1 0 43108 1 0 43109 1 0 44110 1 0 44111 1 0 45112 1 0 45113 1 0 46114 1 0 47115 1 0 47116 1 0 47117 1 0 48118 1 0 48119 1 0 48120 1 0 M END