HMDB0015138 RDKit 3D Cromoglicic acid 50 53 0 0 0 0 0 0 0 0999 V2000 -8.3175 0.5097 -2.8452 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0294 0.8582 -1.6844 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0045 1.4167 -0.8860 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6707 0.6620 -1.2142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6983 0.1073 -2.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4097 -0.0780 -1.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5192 -0.5955 -2.3055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1118 0.3124 -0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7964 0.1393 0.2269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8890 -0.3968 -0.5680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6269 -0.8013 -0.7021 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1170 -1.9420 0.1572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1921 -1.6383 1.4634 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2082 -2.3913 -0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2785 -1.6169 -0.3245 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1419 -0.9653 0.4294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0974 -0.9599 1.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0541 -0.2425 2.5161 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0391 0.4577 1.8829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1219 0.4789 0.4864 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.1513 -0.1136 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1694 1.1890 -1.4103 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2599 1.9655 -2.0582 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3272 1.9796 -3.3061 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1994 2.6702 -1.3358 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2613 0.5059 -2.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2631 -0.2043 -1.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3892 -0.8587 -2.2017 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1600 -0.2405 -0.1788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5819 0.5554 1.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5975 1.1017 2.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8669 1.2710 1.7747 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1153 0.8624 0.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3410 1.0232 0.0117 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0904 1.2952 0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9786 -0.1880 -3.0143 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0583 0.1072 -0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3460 -1.0825 -1.7781 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8655 -2.7782 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2383 -2.4017 2.0918 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4305 -3.3855 0.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 -2.7203 -1.4521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 -1.5178 2.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9946 -0.2560 3.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7952 1.0244 2.4415 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0567 2.2404 -0.9837 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3323 0.5273 -3.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5965 0.4855 2.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3854 1.4237 3.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6721 1.7020 2.3522 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 22 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 9 30 1 0 30 31 2 0 31 32 1 0 32 33 2 0 33 34 1 0 34 4 1 0 33 8 1 0 29 16 1 0 29 20 2 0 3 35 1 0 5 36 1 0 11 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 14 42 1 0 17 43 1 0 18 44 1 0 19 45 1 0 25 46 1 0 26 47 1 0 30 48 1 0 31 49 1 0 32 50 1 0 M END