HMDB0298655 RDKit 3D DG(i-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 15.9833 1.6536 -1.7324 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3785 0.5719 -0.8550 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7308 1.2010 0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4477 1.0656 0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5069 0.2940 -0.2737 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8741 -0.8164 0.5495 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8090 -1.6876 1.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1176 -0.2073 1.6603 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0379 0.5601 1.3875 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3033 1.1505 2.4716 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2645 1.9081 2.3283 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 2.3410 1.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1014 2.0419 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4233 1.3089 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1179 0.7227 -0.7904 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 -0.0086 -1.7278 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1670 -0.6266 -1.5012 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8312 -1.3590 -2.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0881 -1.3247 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9585 -1.8699 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 -1.7498 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2502 -3.0858 -1.1532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0613 -2.9897 -2.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1012 -2.3455 -1.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1406 -2.0666 -2.1330 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2087 -1.9849 -0.1024 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3074 -1.3716 0.5027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6309 -0.0169 -0.0779 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5305 0.8605 0.0894 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8239 0.5321 0.6885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9121 -0.3333 0.5247 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4929 -0.6116 -0.6813 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0670 -0.0822 -1.7297 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6384 -1.5423 -0.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8843 -0.7536 -1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1266 0.1754 0.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2978 -0.5743 1.4272 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3742 -1.5413 1.5757 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7898 -1.3110 1.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5997 -0.4660 0.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3910 0.9803 1.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0262 1.9649 0.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5075 1.9642 0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8934 3.1241 -0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1661 0.7224 -0.4276 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6396 1.1459 -2.4786 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1312 2.0779 -2.3199 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4930 2.4394 -1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7552 -0.0568 -1.4742 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2310 -0.0478 -0.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3174 1.8227 1.0027 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0354 1.5757 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8728 -0.1452 -1.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6527 1.0052 -0.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1626 -1.3697 -0.1279 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3411 -2.3207 1.6484 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4179 -0.3703 2.6675 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8371 0.6229 0.3440 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6797 0.9212 3.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8366 2.2603 3.3183 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4956 2.1080 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5531 3.4974 1.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0644 2.4653 -0.5410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9077 1.1524 -2.0389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5722 0.8147 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9785 -0.1524 -2.6764 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4474 0.2443 -1.4602 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4257 -0.8657 -3.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9939 -1.3836 0.3879 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8750 -2.4069 1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9780 -1.3221 -0.0255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8481 -1.0101 -1.4992 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0313 -3.7233 -1.6168 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9164 -3.6717 -0.2463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2513 -4.0588 -2.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3004 -2.5942 -3.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0688 -1.2748 1.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2365 -1.9877 0.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8642 -0.1111 -1.1374 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4965 1.4951 -0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0570 1.5682 0.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5185 0.5512 1.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4460 -2.1558 -1.7134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7069 -2.2210 0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7648 -1.3418 -1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6888 -0.0684 -1.8912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1272 0.7202 0.2628 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8175 0.9137 -0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4109 0.2006 2.2436 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2787 -1.0186 1.6835 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2346 -2.4154 0.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0804 -2.1559 2.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2871 -2.3629 1.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0151 -0.9913 2.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6892 -0.7202 0.9944 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4455 -0.7541 -0.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3715 1.2222 1.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9386 1.2137 2.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5732 1.9406 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6825 2.9894 0.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9251 2.2570 1.0741 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0823 4.0472 -0.2867 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8349 2.8382 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0949 3.2556 -1.6400 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0114 1.0488 -1.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5057 0.0963 -1.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7195 0.1500 0.3541 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 43 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 1 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 44102 1 0 44103 1 0 44104 1 0 45105 1 0 45106 1 0 45107 1 0 M END