HMDB0267533 RDKit 3D PA(i-14:0/20:4(5Z,8Z,11Z,14Z)-OH(16R)) 112111 0 0 0 0 0 0 0 0999 V2000 14.0395 -1.3875 3.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7354 -2.4454 2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3005 -2.2750 1.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1262 -0.8883 1.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7225 -0.6382 0.6321 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8678 -0.7935 1.7253 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6826 0.7313 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6613 1.1493 -0.6184 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5216 0.2172 -0.8608 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2977 -0.0252 -2.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2290 0.2393 -2.9983 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0090 0.8679 -2.4086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7288 2.1511 -3.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 3.2969 -2.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 3.5243 -1.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8795 4.0610 -0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6559 4.3770 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9527 4.2755 -1.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7041 3.3833 -1.5794 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0498 1.9759 -1.1509 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8202 1.1526 -1.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2575 0.9074 -2.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 0.6555 0.0795 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9796 -0.1464 0.0151 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0059 0.7110 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2564 0.2038 0.8014 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7693 -0.7130 1.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0748 -1.2290 2.5593 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2339 -1.0892 1.4811 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2734 -2.3790 0.7618 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5728 -2.9947 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4853 -2.3187 -0.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0202 -0.9796 -0.1934 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7989 -0.9002 1.0920 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0049 -1.7412 1.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0560 -1.5775 0.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8244 -0.3364 -0.0218 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0751 0.8520 -0.4532 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0304 2.0637 -0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0712 1.7306 -1.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6472 2.3551 0.7621 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7083 -1.4952 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7249 -2.4226 0.3829 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1885 -3.9162 0.9958 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.3744 -4.6320 1.5759 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5157 -4.8578 -0.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0028 -3.6823 2.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1687 -0.3924 2.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0298 -1.6532 3.6793 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2744 -1.4020 4.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4248 -2.3302 1.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8258 -3.4469 2.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6531 -2.4020 2.6283 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0519 -2.9998 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8855 -0.7385 0.3435 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3193 -0.1570 1.9793 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5623 -1.4298 -0.1547 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3548 -0.5144 2.5214 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5381 1.4066 0.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6491 2.1574 -1.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6776 -0.7484 -0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6328 0.6547 -0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1429 -0.4890 -2.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 0.0081 -4.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1321 0.1960 -2.7400 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9431 0.8626 -1.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5484 2.0899 -4.1841 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5280 4.1914 -3.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8299 4.2443 -1.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3930 2.6025 -0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2360 4.2204 0.9045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0275 4.7928 0.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4953 5.3028 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4594 4.0134 -2.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2758 3.3334 -2.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9749 3.8433 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4555 2.0541 -0.1147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 1.5241 -1.7752 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1977 -0.1893 -1.0967 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0051 1.7436 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5525 0.9745 1.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7068 -0.2330 1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5852 -1.2290 2.5365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7262 -2.2090 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6331 -3.1561 1.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0729 -3.2406 1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3199 -4.0238 -0.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3714 -2.9804 -0.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9526 -2.2325 -1.5103 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8451 -0.8128 -1.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3925 -0.1150 -0.3208 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0984 -1.3146 1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9417 0.1201 1.4094 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7316 -2.8451 1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4850 -1.5788 2.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8254 -2.4092 0.3203 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6767 -1.9204 -0.9099 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6962 -0.4657 -0.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3709 -0.1139 0.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2079 1.1617 0.1069 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7477 0.6769 -1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4000 2.9157 -0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0405 1.4989 -1.1387 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8142 0.8723 -2.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2084 2.6183 -2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6618 1.8943 0.8479 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9840 1.9760 1.5723 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7848 3.4598 0.8206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4898 -1.4218 1.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1858 -1.9408 -0.0094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4457 -5.7985 0.0459 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8878 -3.4940 1.7716 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 5 7 1 0 7 8 2 0 8 9 1 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 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 38 39 1 0 39 40 1 0 39 41 1 0 24 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 1 48 1 0 1 49 1 0 1 50 1 0 2 51 1 0 2 52 1 0 3 53 1 0 3 54 1 0 4 55 1 0 4 56 1 0 5 57 1 6 6 58 1 0 7 59 1 0 8 60 1 0 9 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 29 82 1 0 29 83 1 0 30 84 1 0 30 85 1 0 31 86 1 0 31 87 1 0 32 88 1 0 32 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 40103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 46111 1 0 47112 1 0 M END