HMDB0289227 RDKit 3D PC(DiMe(9,3)/20:4(5Z,8Z,11Z,14Z)-OH(18R)) 136136 0 0 0 0 0 0 0 0999 V2000 -6.2324 -1.6775 2.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0079 -0.1968 2.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6016 0.1111 2.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1955 1.5148 2.5506 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 1.9598 3.4923 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 3.2694 3.4143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4164 4.1119 4.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1001 4.3184 3.5884 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1353 5.1386 4.3785 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1938 5.3175 3.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7959 3.9886 3.3627 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1319 4.0123 2.6468 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6182 2.5975 2.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9377 2.4819 1.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3206 1.0498 1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7090 0.6217 0.4639 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 0.2049 2.6311 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5210 -1.1588 2.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5950 -1.8796 1.7178 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1961 -1.3061 1.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6574 -1.6982 0.4732 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1584 -1.0049 0.2651 P 0 0 0 0 0 5 0 0 0 0 0 0 0.0946 -2.0306 0.2073 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -0.0029 1.5863 O 0 0 0 0 0 1 0 0 0 0 0 0 1.0934 -0.1184 -1.1937 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3824 0.2438 -1.5832 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 1.0098 -2.8585 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9535 0.3470 -4.0134 N 0 0 0 0 0 4 0 0 0 0 0 0 1.3416 -0.9446 -3.7516 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9955 1.2043 -4.6954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0287 0.0819 -4.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7236 -3.2468 1.6807 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1324 -3.9771 0.5912 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3674 -3.2681 -0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3171 -5.4241 0.5413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -6.1755 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9698 -5.9984 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8533 -6.9005 0.9664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 -6.5788 0.7108 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1276 -5.1694 0.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9032 -5.0579 1.7647 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1573 -4.7897 1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8815 -4.5384 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3101 -4.5988 -0.9204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2724 -3.5759 -1.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8040 -2.2045 -1.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8594 -1.9649 -2.4248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8720 -0.9953 -3.2772 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8246 0.0130 -3.3784 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4889 1.3853 -3.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5008 2.5069 -3.2214 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9500 2.5368 -4.4856 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3972 2.4193 -2.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9501 2.4602 -0.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9829 3.7054 2.3376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1733 5.0631 1.8041 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5938 2.5830 1.7748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4820 2.5630 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9368 -2.1479 3.1423 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2614 -2.2406 2.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5740 -1.7949 1.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7471 0.4120 2.1811 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1220 -0.0264 3.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5366 -0.1290 1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9232 -0.5923 2.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 3.5974 5.2894 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8982 5.0981 4.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3299 4.8419 2.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7253 3.2754 3.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 4.6402 5.3585 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5912 6.1171 4.5936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9380 5.8383 2.6963 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 5.8995 4.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9613 3.4805 4.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1530 3.3170 2.7577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9082 4.5283 3.2599 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9987 4.5721 1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5385 2.0465 3.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8283 2.1267 1.7669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7267 3.0151 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.9183 0.7305 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4508 -1.5175 3.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5557 -1.2891 2.2657 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9859 -1.5407 0.6824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5890 -1.6549 2.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 -0.2144 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 0.8287 -0.7431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9436 -0.7090 -1.7167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5501 1.2396 -3.0578 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9950 2.0192 -2.7950 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -0.7708 -3.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -1.4028 -4.7627 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9940 -1.6504 -3.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8572 2.1314 -4.1089 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3511 1.5070 -5.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0281 0.6792 -4.8538 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5366 -0.1046 -5.9575 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.8894 -4.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7655 0.8957 -4.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7784 -5.8243 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0453 -5.7318 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2607 -7.2766 0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6264 -5.9020 -0.7309 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3812 -6.4270 2.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7219 -4.9790 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0852 -7.9961 0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1105 -7.3716 0.4605 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0959 -4.8725 -0.2774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9912 -4.5512 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 -5.2236 2.8157 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7997 -4.7422 2.5603 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7403 -5.3452 0.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5261 -3.6291 0.5735 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9166 -5.5709 -1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8212 -3.7015 -2.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9512 -1.4710 -1.5170 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1750 -2.0838 -0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6981 -2.6835 -2.4193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7267 -0.8837 -4.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9850 -0.0368 -2.7164 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4143 0.1207 -4.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2937 1.5217 -3.8630 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9361 1.3285 -2.1140 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0183 3.4729 -3.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2406 3.2127 -4.5168 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7632 3.3274 -2.3519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7303 1.5604 -2.3632 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3019 1.4657 -0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7793 3.2022 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1509 2.7578 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1741 5.4771 2.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 5.0925 0.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 5.7716 2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4783 1.5240 0.1954 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1196 3.2675 -0.1769 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5392 2.8382 0.8643 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 2 0 15 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 22 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 28 31 1 0 19 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 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 1 0 44 45 2 0 45 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 6 55 2 0 55 56 1 0 55 57 1 0 57 58 1 0 57 4 2 0 1 59 1 0 1 60 1 0 1 61 1 0 2 62 1 0 2 63 1 0 3 64 1 0 3 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 14 80 1 0 14 81 1 0 18 82 1 0 18 83 1 0 19 84 1 6 20 85 1 0 20 86 1 0 26 87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 29 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 31 99 1 0 35100 1 0 35101 1 0 36102 1 0 36103 1 0 37104 1 0 37105 1 0 38106 1 0 39107 1 0 40108 1 0 40109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 44114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 48119 1 0 49120 1 0 49121 1 0 50122 1 0 50123 1 0 51124 1 1 52125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 54130 1 0 56131 1 0 56132 1 0 56133 1 0 58134 1 0 58135 1 0 58136 1 0 M CHG 2 24 -1 28 1 M END