HMDB0296681 RDKit 3D DG(22:0/0:0/20:4(5Z,8Z,11Z,13E)-OH(15S)) 131130 0 0 0 0 0 0 0 0999 V2000 -13.4870 0.9435 -2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6145 0.0241 -2.5023 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5076 -0.1902 -1.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.1217 -0.7439 -0.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2833 -0.1396 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9002 0.2228 0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1326 0.7336 1.8531 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0083 -0.2402 2.9611 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3251 -1.5068 2.6454 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9709 -1.5574 2.1095 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8140 -0.9975 2.8562 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8180 0.4607 3.0870 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5968 0.9145 3.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3417 0.5555 3.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3482 1.1790 1.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0605 0.7893 0.9966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 1.2861 1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5256 0.9726 1.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1321 1.4398 -0.2420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8732 1.0878 -1.4595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0427 -0.3573 -1.7477 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7117 -1.0137 -1.9249 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2758 -1.3826 -3.0216 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9668 -1.1985 -0.7996 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2256 -1.6998 -0.4901 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4363 -0.9160 -0.9480 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5845 -1.6354 -0.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5339 -0.8106 -2.4256 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.2152 -2.8175 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1573 1.0384 -2.4762 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3427 1.7216 -1.7073 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3903 1.6754 -2.9041 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2642 0.9526 -3.8342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9676 -0.2779 -3.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 -1.4399 -2.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3710 -1.9384 -1.8022 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2414 -1.4451 -0.6945 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1715 -2.4809 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4602 -2.3420 -0.3420 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1036 -1.1304 -0.8079 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9474 -1.5104 -1.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2312 -1.3263 -2.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9717 -0.7225 -0.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2955 -0.5507 -1.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0552 0.0738 0.0948 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0468 1.4577 -0.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4720 -0.3852 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2096 0.2316 1.2656 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2996 1.7163 1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1300 2.0851 2.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5040 1.4694 2.4382 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5555 0.4440 -2.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3045 1.2239 -3.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5976 1.9017 -2.0378 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2535 -1.0041 -2.9315 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2990 0.3264 -3.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0274 0.8422 -1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4700 -0.7527 -1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1037 -1.1629 0.4233 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6831 -1.8353 -0.3433 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3671 -0.8210 1.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8223 0.7968 1.3530 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9177 1.1896 0.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2893 -0.4809 0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1535 1.0638 1.4593 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6634 1.6360 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0876 -0.5557 3.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7169 0.2742 3.8893 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0120 -2.0739 1.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3351 -2.1083 3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9316 -1.2319 1.0130 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7202 -2.6765 1.9879 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8569 -1.2773 2.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7168 -1.5858 3.8135 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6711 0.8188 3.7179 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8269 1.0029 2.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6977 2.0340 3.9389 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5748 0.4643 4.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 0.8879 3.6947 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1864 -0.5353 2.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1629 0.7877 1.0912 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4406 2.2849 1.7629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2002 0.9870 -0.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0602 -0.3501 1.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7999 0.8854 2.7273 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8880 2.4067 1.8482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3472 -0.1266 1.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7679 1.4254 1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1188 2.5846 -0.1978 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0250 1.2346 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2257 1.4603 -2.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8082 1.6316 -1.6530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6689 -0.8986 -1.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5629 -0.4487 -2.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3262 -1.7287 0.6439 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3016 -2.7649 -0.8666 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4696 0.0829 -0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -1.4340 0.5044 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4244 -1.7620 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7937 -0.0123 -2.8117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1966 2.7411 -3.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 1.8226 -1.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6642 0.7568 -4.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0502 1.7340 -4.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5551 -0.5989 -4.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7491 0.0632 -2.6685 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5682 -1.9239 -3.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7630 -2.8423 -1.5884 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5681 -0.4238 -0.7726 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4889 -1.3892 0.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -3.4291 0.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1258 -3.1624 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4780 -0.3066 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7307 -0.7083 -0.0116 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3952 -1.9736 -2.8320 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7336 -1.6521 -2.9506 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5583 -0.3784 -0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8029 -0.8628 -1.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5817 -0.0764 1.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1264 1.7967 -0.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4666 -1.4991 0.3274 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9797 -0.2315 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7887 -0.1729 2.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2560 -0.1574 1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3328 2.2470 1.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7511 2.0888 0.3631 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1658 3.2004 2.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5864 1.7441 3.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1948 2.1094 3.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4973 0.4736 2.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8660 1.4165 1.3796 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 1 0 14 15 1 0 15 16 1 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 26 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 2 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 1 52 1 0 1 53 1 0 1 54 1 0 2 55 1 0 2 56 1 0 3 57 1 0 3 58 1 0 4 59 1 0 4 60 1 0 5 61 1 0 5 62 1 0 6 63 1 0 6 64 1 0 7 65 1 0 7 66 1 0 8 67 1 0 8 68 1 0 9 69 1 0 9 70 1 0 10 71 1 0 10 72 1 0 11 73 1 0 11 74 1 0 12 75 1 0 12 76 1 0 13 77 1 0 13 78 1 0 14 79 1 0 14 80 1 0 15 81 1 0 15 82 1 0 16 83 1 0 16 84 1 0 17 85 1 0 17 86 1 0 18 87 1 0 18 88 1 0 19 89 1 0 19 90 1 0 20 91 1 0 20 92 1 0 21 93 1 0 21 94 1 0 25 95 1 0 25 96 1 0 26 97 1 1 27 98 1 0 28 99 1 0 28100 1 0 32101 1 0 32102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 39112 1 0 40113 1 0 40114 1 0 41115 1 0 42116 1 0 43117 1 0 44118 1 0 45119 1 1 46120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 49126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 51131 1 0 M END