HMDB0241894 RDKit 3D (4S,5E)-4-Hydroxy-6-[(1S,2R,5S)-5-hydroxy-3-oxo-2-[(2Z,5Z,8Z)-undeca-2,5,8-tr... 82 82 0 0 0 0 0 0 0 0999 V2000 -11.1181 1.5743 2.1051 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9053 1.1191 2.9001 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7703 -0.3358 2.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7486 -1.0139 2.4774 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5654 -0.4135 1.8594 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4204 -0.9317 0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3082 -1.5814 0.1536 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1194 -2.1062 -1.1997 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9084 -1.5264 -1.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1297 -0.6452 -1.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9319 0.0104 -1.8532 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4293 -0.4118 -3.1711 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9658 -1.8031 -3.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3770 -2.7926 -2.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8452 -1.8414 -4.2519 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6232 -0.4357 -4.7064 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4101 -0.2346 -5.8576 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2012 0.4089 -3.5973 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2720 0.6764 -2.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9891 0.3125 -2.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8357 0.6614 -1.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7468 1.6362 -1.5463 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4891 -0.5407 -0.6467 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3535 -0.3775 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5614 0.4257 0.3715 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9351 0.8472 -0.7313 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3347 0.7406 1.4756 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5307 1.5306 1.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 2.8695 2.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2857 3.8323 1.9506 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3875 3.6844 1.3960 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0911 5.0718 2.5939 O 0 0 0 0 0 1 0 0 0 0 0 0 7.6836 0.8649 2.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0282 -0.4352 1.5402 N 0 0 0 0 0 4 0 0 0 0 0 0 7.6879 -0.7286 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3409 -1.4049 2.3997 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4624 -0.6826 1.7559 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1935 0.9413 1.2112 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9945 2.6260 1.7597 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9957 1.4487 2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0194 1.4795 3.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0456 1.6282 2.4990 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6221 -0.8894 3.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7775 -2.1242 2.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6577 -0.7113 2.4733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5195 0.6632 1.7897 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2195 -0.7487 -0.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5088 -1.7482 0.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0177 -2.0522 -1.8357 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8839 -3.2020 -1.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7847 -1.9034 -2.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4248 -0.3422 -0.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1829 1.1089 -1.9367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1264 -0.0086 -1.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2081 -0.1646 -3.9444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0733 -2.2188 -3.7060 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0467 -2.5353 -5.1071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4410 -0.2074 -4.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8944 0.6188 -5.7744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5415 1.3627 -4.0818 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6859 1.2585 -1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4519 -0.2460 -3.1959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1387 1.0654 -0.4178 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5411 2.4561 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6814 -1.2923 -0.3993 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1071 -1.0847 -1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 -0.0104 1.4316 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 -1.4322 0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6603 1.7563 0.2811 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3074 3.2426 1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8177 2.6976 3.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5957 1.5010 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5696 0.8497 3.1337 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5816 0.1281 -0.4835 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7799 -1.3595 0.1021 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5375 -1.3329 -0.2533 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3592 -1.6982 1.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9475 -2.3065 2.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1090 -0.9189 3.3913 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0522 -0.2997 0.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7529 -0.2292 2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5622 -1.7890 1.7989 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 3 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 28 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 18 12 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 2 42 1 0 3 43 1 0 4 44 1 0 5 45 1 0 5 46 1 0 6 47 1 0 7 48 1 0 8 49 1 0 8 50 1 0 9 51 1 0 10 52 1 0 11 53 1 0 11 54 1 0 12 55 1 0 15 56 1 0 15 57 1 0 16 58 1 0 17 59 1 0 18 60 1 0 19 61 1 0 20 62 1 0 21 63 1 0 22 64 1 0 23 65 1 0 23 66 1 0 24 67 1 0 24 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 33 72 1 0 33 73 1 0 35 74 1 0 35 75 1 0 35 76 1 0 36 77 1 0 36 78 1 0 36 79 1 0 37 80 1 0 37 81 1 0 37 82 1 0 M CHG 2 32 -1 34 1 M END