HMDB0289303 RDKit 3D PC(DiMe(9,3)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)) 138139 0 0 0 0 0 0 0 0999 V2000 -8.7649 -0.5750 -6.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5659 -0.2190 -7.0932 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8328 -1.4663 -7.3753 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5805 -1.6468 -7.0383 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7107 -0.6682 -6.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5649 -0.3183 -7.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6482 0.6768 -6.6231 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1797 -0.5610 -7.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4903 -1.3893 -5.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0404 -1.2946 -6.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7945 -0.7968 -5.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5317 -0.2605 -4.0736 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4203 -1.0639 -3.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3605 -0.5114 -2.5083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6296 0.9206 -2.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5983 1.4102 -1.1109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6243 2.0454 -0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8292 2.3042 -1.2660 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1295 1.7893 -0.9422 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5860 1.0268 -0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7937 0.4310 1.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 1.0067 2.3601 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9055 0.5188 3.6097 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7694 -0.0387 4.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 0.5586 4.0925 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3716 0.0188 5.4057 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2317 -0.9273 5.5006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2403 -1.9914 4.6194 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0452 -1.7565 3.2860 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8680 -0.6048 2.7822 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0160 -2.8836 2.3009 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5486 -3.3397 2.3370 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3412 -4.3821 1.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1077 -4.8424 1.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4655 -5.7615 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1811 -5.0303 -1.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8860 -3.7250 -1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3823 -3.7453 -1.1524 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7981 -2.2920 -1.2117 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1837 -1.6003 -2.2303 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4665 -0.3512 -1.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9248 0.6616 -2.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 0.9133 -2.9408 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0253 1.3822 -1.6781 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2439 -0.2265 -0.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3963 0.9846 0.2119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8135 -1.4647 -0.1222 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4624 -1.7403 1.2828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8967 1.2418 6.2539 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8907 2.2011 6.1997 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 3.5592 7.0217 P 0 0 0 0 0 5 0 0 0 0 0 0 4.4539 3.3606 8.4755 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8999 4.9427 6.3783 O 0 0 0 0 0 1 0 0 0 0 0 0 2.5386 3.5526 6.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1019 4.8599 6.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6254 4.9258 6.3699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2780 4.2875 5.1344 N 0 0 0 0 0 4 0 0 0 0 0 0 0.3505 2.8524 5.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 4.6528 4.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1515 4.8211 4.1043 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6725 -0.7888 -6.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5472 -1.4342 -5.5676 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0179 0.2873 -5.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0078 0.6002 -6.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0501 0.0934 -8.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4061 -2.2552 -7.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1556 -2.6309 -7.3147 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3724 -1.1021 -5.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2410 0.2559 -6.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8942 0.0765 -8.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5335 -0.4639 -7.9771 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 -0.9703 -5.0170 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8376 -2.4453 -6.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3248 -1.6619 -7.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8625 -0.7667 -5.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4960 -0.4582 -3.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6816 0.7942 -4.1260 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2383 -2.1287 -3.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 -1.1223 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 1.0288 -3.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9624 1.5795 -3.0642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7020 1.2373 -0.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 2.3736 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6699 2.3565 -2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9638 3.4832 -1.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9740 2.1268 -1.6744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6970 0.7995 -0.0112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7420 0.6241 1.1116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9269 -0.6893 1.1357 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 1.0063 2.2758 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1695 2.1235 2.3150 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2638 -0.3688 5.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2441 -0.3803 5.2929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0901 -1.2904 6.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6690 -3.6957 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 -2.4865 1.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3010 -3.7349 3.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9631 -2.4278 2.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6597 -3.9658 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0248 -5.2318 1.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -5.4903 2.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8042 -4.0224 1.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -6.6578 0.1744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 -5.9581 0.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8978 -4.9629 -1.3816 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5937 -5.7095 -1.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6249 -3.1408 -2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 -3.0757 -0.3722 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 -4.1617 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8805 -4.3605 -1.8985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4959 0.4256 -3.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4558 1.6569 -2.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5422 1.7176 -3.7102 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9380 0.0372 -3.3675 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5476 2.2839 -1.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0759 1.7179 -1.9591 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0855 0.6111 -0.8964 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5895 0.9914 0.9874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3774 0.9612 0.7117 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3581 1.8750 -0.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3666 -1.7110 1.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 -2.7504 1.5691 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9587 -0.9805 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9863 1.6471 5.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6878 0.9095 7.2805 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6972 5.3936 5.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2742 5.4439 7.5975 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3446 6.0097 6.3222 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1011 4.4152 7.1987 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6439 2.4003 4.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 2.4522 4.5730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5308 2.5530 6.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0588 5.6040 4.2139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4171 3.8617 4.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6895 4.6538 5.6615 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4157 5.8693 4.2746 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0947 4.2193 4.1382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6819 4.7643 3.0836 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 7 8 1 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 2 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 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 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 41 45 2 0 45 46 1 0 45 47 1 0 47 48 1 0 26 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 57 60 1 0 8 6 1 0 47 39 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 0 8 71 1 0 9 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 15 81 1 0 16 82 1 0 17 83 1 0 18 84 1 0 18 85 1 0 19 86 1 0 20 87 1 0 21 88 1 0 21 89 1 0 22 90 1 0 22 91 1 0 26 92 1 1 27 93 1 0 27 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 46118 1 0 46119 1 0 46120 1 0 48121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 55126 1 0 55127 1 0 56128 1 0 56129 1 0 58130 1 0 58131 1 0 58132 1 0 59133 1 0 59134 1 0 59135 1 0 60136 1 0 60137 1 0 60138 1 0 M CHG 2 53 -1 57 1 M END