HMDB0285134 RDKit 3D PE(DiMe(9,5)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 136136 0 0 0 0 0 0 0 0999 V2000 11.1094 3.8654 -1.7122 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0735 3.0120 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3883 2.1852 0.0991 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4491 0.8794 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1939 0.1018 -0.8980 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2912 -0.7303 -0.2533 C 0 0 2 0 0 0 0 0 0 0 0 0 13.9701 -1.4655 -1.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8599 -1.4647 0.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6808 -2.0748 1.0841 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3400 -2.7800 2.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2134 -3.3832 2.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1399 -3.4375 1.4869 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9549 -2.7814 2.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3753 -1.7526 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7970 -1.1430 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1661 -0.0838 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6415 0.5166 -1.4576 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4313 1.8713 -1.4981 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1123 -0.2489 -2.6023 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8743 -0.1351 -2.9955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8942 0.7568 -2.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4040 1.7246 -3.4130 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4251 2.6800 -2.8164 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2679 1.9560 -2.2397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4237 1.4510 -2.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1114 1.8341 -0.8919 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1183 1.2150 -0.1560 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4262 2.2129 0.6993 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5274 1.7727 1.5734 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6511 1.0618 1.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8344 0.7888 0.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5818 0.6532 2.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6498 -0.2541 1.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6398 0.1455 0.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5282 1.2988 1.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4028 1.3300 2.2765 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4183 0.3366 2.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5333 0.0561 1.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4409 1.1940 1.3363 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5136 0.6475 0.4442 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7143 0.4122 0.8741 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4984 -0.0712 -0.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9093 -0.3993 0.1859 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8022 0.7513 -0.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6927 1.1432 -1.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6389 2.2996 -1.9133 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3185 3.5132 -1.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7406 -0.1486 -1.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1799 -0.6753 -2.5305 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4601 0.3121 -0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2905 0.4135 -1.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6213 -0.0152 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0674 -0.8796 -0.4372 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6853 -2.3195 0.1347 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0120 -3.2854 -0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1333 -1.9989 0.9461 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6656 -3.1118 1.2181 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3343 -4.3868 0.7484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4284 -5.1367 1.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1762 -6.4372 1.0469 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8671 4.8184 -1.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 3.2959 -1.7954 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5109 4.1203 -2.7123 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6732 3.7816 -0.3046 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8182 2.5163 -1.5253 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7909 2.6866 0.8929 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8987 0.3525 0.9036 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5343 0.6247 -1.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4577 -0.6775 -1.2856 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0347 0.0459 0.1199 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8651 -1.1136 -1.3681 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5290 -1.5542 1.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0104 -2.0153 0.2646 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1174 -2.7779 3.1067 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0263 -3.8937 3.4378 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8695 -4.5440 1.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3906 -3.0738 0.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5738 -3.2056 3.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5121 -1.3426 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6284 -1.4918 -0.2272 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3278 0.3123 0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7600 0.3740 -1.4889 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2534 2.2338 -0.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7464 -0.9548 -3.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5223 -0.7363 -3.8572 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2352 1.3045 -1.4829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0615 0.0993 -2.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2600 2.2281 -3.8749 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8642 1.1099 -4.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9555 3.2525 -2.0083 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0027 3.3822 -3.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3735 0.8119 -0.9079 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2287 2.7257 1.3073 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0758 3.0458 0.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9307 0.0811 3.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9193 1.5286 2.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1145 -1.1773 1.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1197 -0.7297 2.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2076 -0.7893 0.5695 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1018 0.3804 -0.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8958 2.2208 1.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1360 1.4138 0.1716 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7551 1.4106 3.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9142 2.3457 2.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9020 0.6875 3.5536 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9980 -0.6594 2.9390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1903 -0.4960 0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1962 -0.7266 2.1477 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9781 2.0231 0.7710 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8517 1.6071 2.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2224 -1.3332 -0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0532 -0.6028 1.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4971 1.6086 0.5222 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8452 0.4455 0.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.6605 1.5292 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8807 0.2769 -2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4847 2.5319 -2.9818 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6681 1.9255 -1.7229 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2052 3.6142 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7118 4.4033 -1.6097 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7722 3.5006 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3753 0.1494 -3.2453 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4243 -1.3575 -2.9783 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1084 -1.2837 -2.4427 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5790 -0.4066 -1.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7522 1.3589 -1.5721 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6090 0.3545 -2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5029 0.2015 1.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8327 -0.4927 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 -2.8028 1.1036 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8032 -4.2412 -0.2265 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 -4.9427 0.5832 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5475 -4.5964 1.7224 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8545 -5.2706 2.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1364 -6.3743 0.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -6.8483 1.3925 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 6 7 1 0 6 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 2 0 16 17 1 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 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 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 42 48 2 0 48 49 1 0 48 50 1 0 50 51 1 0 27 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 50 40 2 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 4 67 1 0 5 68 1 0 5 69 1 0 6 70 1 1 7 71 1 0 8 72 1 0 9 73 1 0 10 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 14 79 1 0 15 80 1 0 16 81 1 0 17 82 1 1 18 83 1 0 19 84 1 0 20 85 1 0 21 86 1 0 21 87 1 0 22 88 1 0 22 89 1 0 23 90 1 0 23 91 1 0 27 92 1 6 28 93 1 0 28 94 1 0 32 95 1 0 32 96 1 0 33 97 1 0 33 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 39110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 47121 1 0 49122 1 0 49123 1 0 49124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 56130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 60135 1 0 60136 1 0 M END