HMDB0294959 RDKit 3D DG(13:0/0:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) 107106 0 0 0 0 0 0 0 0999 V2000 -14.4165 -2.3944 0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5444 -3.4276 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1495 -3.3673 0.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1492 -3.1046 -0.6440 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3029 -2.8392 -2.0822 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7588 -1.4071 -2.2903 C 0 0 1 0 0 0 0 0 0 0 0 0 -11.5294 -0.5177 -1.5183 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3967 -1.4247 -1.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0550 -0.4708 -0.7670 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7421 -0.5008 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3635 0.4172 0.7230 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1545 1.5156 1.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8233 2.8962 0.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8327 3.4874 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7803 2.7584 -0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7932 3.4065 -0.8660 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6942 2.6614 -1.5364 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5989 3.4865 -1.7708 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3252 1.4465 -0.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7689 1.5752 0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 2.8329 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1049 3.2275 1.3925 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3291 2.3809 2.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 1.0358 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 0.7378 0.5804 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4715 0.1289 2.7383 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8736 -1.1605 2.4221 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1032 -1.1064 1.5332 C 0 0 2 0 0 0 0 0 0 0 0 0 2.4926 -2.4092 1.2846 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1927 -0.2891 2.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2919 -0.1922 1.2867 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 -1.1004 0.8276 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0442 -2.2963 1.1661 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2745 -0.6697 -0.1127 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2305 0.8128 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5066 1.6427 0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8581 1.8788 1.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8171 0.8023 1.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4690 0.3068 0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4140 -0.8226 0.5978 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1221 -1.3661 -0.6478 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9062 -0.3003 -1.3214 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6117 -0.7192 -2.5555 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6417 -1.7704 -2.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2293 -3.1369 -2.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3321 -2.2792 -0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9355 -1.4046 0.4461 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7081 -2.7517 1.3855 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7200 -3.4749 -1.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9573 -4.4218 0.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9141 -3.5532 1.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1040 -3.0688 -0.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3040 -2.8212 -2.4847 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6475 -3.5360 -2.6829 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6921 -1.1328 -3.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6643 0.2993 -2.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6578 -2.1803 -1.8511 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8181 0.2743 -0.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0515 -1.3189 -0.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3577 0.2410 1.1438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3810 1.3951 2.3219 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2314 1.3883 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5548 3.6258 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7752 4.5921 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7270 1.6926 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7829 4.4686 -0.8587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0332 2.3211 -2.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7342 3.9696 -2.6196 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5224 0.4417 -1.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 0.6392 0.9593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9368 3.7279 0.5249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0655 2.8408 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1859 4.2498 1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4607 3.4330 0.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8023 2.2823 3.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6626 2.9054 2.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0675 -1.7106 3.3583 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0588 -1.6885 1.8834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8125 -0.6159 0.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0975 -2.7094 0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4658 -0.7161 3.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 0.7610 2.3507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1669 -1.1280 0.2762 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 -1.1395 -1.1023 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 1.1290 -1.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1461 1.0358 -0.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9579 2.6796 0.7435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8604 1.2444 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7518 2.4938 2.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3249 2.7068 0.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4000 -0.0767 2.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6475 1.1581 2.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8735 0.0866 -0.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1040 1.2176 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8846 -1.6687 1.0609 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1686 -0.4514 1.3017 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3854 -1.8202 -1.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7709 -2.1848 -0.2344 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1898 0.5314 -1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6120 0.1424 -0.5618 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0470 0.1798 -3.1026 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8259 -1.0782 -3.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1677 -1.8512 -3.4875 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4620 -1.4556 -1.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1434 -3.2617 -2.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5297 -3.3966 -1.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7153 -3.9023 -2.7522 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 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 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 1 46 1 0 1 47 1 0 1 48 1 0 2 49 1 0 2 50 1 0 3 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 6 7 56 1 0 8 57 1 0 9 58 1 0 10 59 1 0 11 60 1 0 12 61 1 0 12 62 1 0 13 63 1 0 14 64 1 0 15 65 1 0 16 66 1 0 17 67 1 6 18 68 1 0 19 69 1 0 20 70 1 0 21 71 1 0 21 72 1 0 22 73 1 0 22 74 1 0 23 75 1 0 23 76 1 0 27 77 1 0 27 78 1 0 28 79 1 6 29 80 1 0 30 81 1 0 30 82 1 0 34 83 1 0 34 84 1 0 35 85 1 0 35 86 1 0 36 87 1 0 36 88 1 0 37 89 1 0 37 90 1 0 38 91 1 0 38 92 1 0 39 93 1 0 39 94 1 0 40 95 1 0 40 96 1 0 41 97 1 0 41 98 1 0 42 99 1 0 42100 1 0 43101 1 0 43102 1 0 44103 1 0 44104 1 0 45105 1 0 45106 1 0 45107 1 0 M END