HMDB0267335 RDKit 3D PA(i-12:0/20:4(5E,8Z,12Z,14Z)-OH(11R)) 106105 0 0 0 0 0 0 0 0999 V2000 14.5960 -3.1965 0.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1977 -2.5172 0.9162 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4074 -3.4248 1.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0091 -3.1468 2.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5676 -1.9405 2.8003 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7885 -0.6291 2.2023 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7519 0.1327 1.8939 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3791 -0.1939 2.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4290 0.6431 1.7331 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 1.9419 1.1332 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8586 2.9565 2.0843 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4414 2.3173 0.3153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1979 1.3026 -0.7139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1087 0.5677 -0.8090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9717 0.6546 0.1007 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7096 1.0116 -0.6361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7177 1.2041 -1.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4951 1.5557 -2.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2912 0.4648 -3.7287 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1022 -0.8662 -3.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1072 -0.9008 -2.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3731 -1.8510 -1.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9799 0.1401 -2.3126 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1993 0.2529 -1.5594 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3797 0.2047 -2.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6110 0.2802 -1.8697 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2996 1.2488 -1.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7916 2.3767 -1.0537 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6856 0.9443 -0.7187 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1896 2.1405 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5643 2.0372 0.5663 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7943 0.9249 1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2401 0.9417 2.0437 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2494 0.7974 0.9603 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1259 -0.4808 0.1894 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3123 -1.6586 1.1189 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2167 -2.9659 0.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3946 -4.1549 1.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8988 -3.1026 -0.3575 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0576 1.3526 -0.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8099 2.5899 -1.1585 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6512 3.8370 -0.0455 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3985 3.5656 1.2227 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0060 4.0008 0.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1778 5.2754 -0.7776 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3450 -4.2526 0.5430 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0858 -3.1494 1.7635 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1599 -2.7286 -0.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7293 -2.3840 -0.0548 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4602 -1.5294 1.3452 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4214 -4.4366 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9938 -3.7009 2.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5797 -4.0816 2.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4467 -3.1511 1.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1117 -1.9811 3.8234 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5127 -2.0929 3.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8099 -0.2290 2.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0011 1.1221 1.4508 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0141 -1.1421 2.5213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3694 0.3649 1.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5840 1.9799 0.4464 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5784 3.8006 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6165 3.3181 -0.1798 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6280 2.4821 1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0175 1.1721 -1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0634 -0.1480 -1.6223 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 1.3150 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7787 -0.3744 0.5340 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7937 1.1087 -0.0812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 1.1036 -2.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6715 1.7024 -2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6645 2.5286 -3.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.6795 -4.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1189 0.4090 -4.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9669 -1.1765 -2.4559 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9903 -1.6694 -3.8492 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2104 -0.7060 -0.9519 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2730 -0.7645 -3.0373 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3291 0.9754 -3.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2687 0.6279 -1.5848 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5392 0.1217 0.0183 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4315 2.4193 0.7753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1814 2.9969 -0.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7568 2.9997 1.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3302 2.0603 -0.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1815 1.0480 2.4581 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5600 -0.0705 1.1239 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3878 1.9303 2.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3473 0.1391 2.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2579 1.6372 0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.2570 0.8213 1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8043 -0.5112 -0.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0839 -0.5274 -0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5145 -1.6615 1.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3467 -1.6130 1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0365 -2.9247 -0.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8958 -5.0140 0.7879 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4639 -4.4263 1.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8953 -3.9359 2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7926 -4.1971 -0.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0911 -2.8217 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8960 -2.5429 -1.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7837 1.3761 0.2513 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0655 1.1648 0.0087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1028 4.7111 1.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9163 5.1949 -1.7450 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 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 10 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 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 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 37 39 1 0 24 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 42 45 1 0 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 3 52 1 0 4 53 1 0 4 54 1 0 5 55 1 0 5 56 1 0 6 57 1 0 7 58 1 0 8 59 1 0 9 60 1 0 10 61 1 6 11 62 1 0 12 63 1 0 12 64 1 0 13 65 1 0 14 66 1 0 15 67 1 0 15 68 1 0 16 69 1 0 17 70 1 0 18 71 1 0 18 72 1 0 19 73 1 0 19 74 1 0 20 75 1 0 20 76 1 0 24 77 1 1 25 78 1 0 25 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 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 38 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 44105 1 0 45106 1 0 M END