HMDB0036143 RDKit 3D Monomenthyl succinate 42 42 0 0 0 0 0 0 0 0999 V2000 -2.4346 3.5410 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9971 2.1734 0.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1155 1.1592 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6490 -0.0688 1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3692 -0.6337 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6631 -1.4881 -0.5625 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5985 -2.5923 -0.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4654 -2.1243 -1.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3274 0.4192 0.3902 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7781 -0.0366 -0.3116 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0615 0.0179 0.2044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1865 0.5049 1.3529 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2354 -0.4866 -0.5873 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4728 -0.2799 0.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6595 -0.7610 -0.4727 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5710 -1.2509 -1.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8963 -0.6634 0.1278 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8782 1.6147 -0.3754 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 3.8642 0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7507 3.5581 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5891 4.2326 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6560 2.2525 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0042 1.5461 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3359 0.9594 -0.6549 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4633 -0.8193 1.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 0.2085 2.2280 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9644 -1.3114 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1860 -0.9039 -1.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6574 -2.3225 -0.2911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4274 -2.8532 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3705 -3.5217 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7989 -3.0717 -1.6606 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0099 -1.5183 -1.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3014 -2.4400 -0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0437 0.8247 1.4013 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3824 0.1230 -1.5109 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1236 -1.5670 -0.8205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 -0.8599 1.2131 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5389 0.8027 0.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2918 0.1801 0.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0329 2.3229 -0.5030 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 1.2696 -1.3774 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 6 8 1 0 5 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 9 18 1 0 18 2 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 7 30 1 0 7 31 1 0 8 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 M END