HMDB0062659 RDKit 3D N-butyl Oleate 66 65 0 0 0 0 0 0 0 0999 V2000 -7.8658 1.4581 1.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4791 0.9487 0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2809 1.7319 0.0965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8491 1.2787 -1.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4650 -0.1942 -1.2721 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0509 -0.5588 -2.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6401 -1.9685 -2.8826 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4049 -2.4111 -2.1053 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3174 -1.5527 -2.5254 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5639 -0.8116 -1.7219 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7770 -0.8096 -0.2867 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -1.2422 0.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5691 -0.3912 0.6396 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2765 -0.0312 -0.5879 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5688 0.6928 -0.5104 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7833 0.1084 0.0325 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8391 -0.4015 1.4303 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2651 -0.8532 1.7534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6316 -1.9811 1.3671 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1219 -0.0497 2.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4384 -0.3652 2.7903 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2959 -0.6274 1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3209 0.6013 0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8893 1.7896 1.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1317 1.0196 2.6688 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7888 2.5558 2.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9134 1.1198 2.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2137 -0.1174 0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3343 1.1174 -0.0772 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4814 1.5890 0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5077 2.8144 0.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9867 1.8643 -1.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6770 1.4128 -1.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3778 -0.7958 -1.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6714 -0.3425 -0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8724 -0.3391 -3.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2012 0.1010 -2.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -2.6144 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4575 -2.1927 -3.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7041 -2.4277 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 -3.4907 -2.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0973 -1.5146 -3.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 -0.1996 -2.2320 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7192 -1.3045 0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9651 0.2937 -0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3109 -2.2614 0.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0197 -1.5125 1.5879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 0.6284 1.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1740 -0.7934 1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6064 0.7891 -1.1052 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3305 -0.8386 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 0.9806 -1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4263 1.7229 -0.0528 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5995 0.9234 0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2582 -0.6533 -0.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5760 0.3151 2.2069 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2169 -1.3391 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5084 -1.1971 3.4939 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8809 0.5654 3.2543 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8756 -1.4803 1.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3489 -0.8302 1.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9291 0.3566 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2912 0.8696 0.3272 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6001 1.5284 2.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4843 2.3759 0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1419 2.4708 1.7996 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 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 1 25 1 0 1 26 1 0 1 27 1 0 2 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 4 33 1 0 5 34 1 0 5 35 1 0 6 36 1 0 6 37 1 0 7 38 1 0 7 39 1 0 8 40 1 0 8 41 1 0 9 42 1 0 10 43 1 0 11 44 1 0 11 45 1 0 12 46 1 0 12 47 1 0 13 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 21 58 1 0 21 59 1 0 22 60 1 0 22 61 1 0 23 62 1 0 23 63 1 0 24 64 1 0 24 65 1 0 24 66 1 0 M END