HMDB0032021 RDKit 3D cis-Methylbixin 62 61 0 0 0 0 0 0 0 0999 V2000 12.0633 1.2734 2.2787 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4267 0.7186 1.1583 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0685 0.5722 0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3075 0.9784 1.9103 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4904 0.0011 -0.2022 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2526 -0.2080 -0.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8895 -0.8119 -1.8263 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9925 -1.2178 -2.7922 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 -1.0001 -2.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5460 -0.6208 -1.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3166 -0.8449 -1.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1004 -0.5309 -1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1273 0.0397 0.2910 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8935 -0.7753 -1.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6752 -0.4306 -0.8502 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.2173 -0.3780 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7741 -0.3475 -0.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7172 -0.0052 0.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2688 0.5030 1.5164 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1191 -0.1232 -0.1857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1279 0.1666 0.5969 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5007 0.0114 0.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5526 0.2821 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2210 0.7456 2.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8973 0.1470 0.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0057 0.3782 1.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3124 0.1989 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3671 -0.1783 -0.8249 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.4494 0.4417 1.0963 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7584 0.3114 0.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9623 1.8560 1.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 1.8151 2.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4998 0.3907 2.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2167 -0.3611 -1.0080 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5015 0.0888 0.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5502 -1.4878 -3.7682 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6669 -1.9548 -2.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5375 -0.2423 -2.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4365 -1.4695 -3.1494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6105 -0.1764 -0.3390 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1964 -1.3068 -2.7662 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9686 0.7642 0.4260 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1579 0.4660 0.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3289 -0.7886 1.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9175 -1.1984 -2.5718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0337 -0.9009 -2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1787 0.2389 0.6944 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1653 -0.7104 -1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6683 1.4272 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 -0.2883 1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1258 0.7342 2.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3805 -0.4783 -1.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9567 0.5128 1.5926 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6862 -0.3317 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7461 -0.1223 2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1193 1.0076 2.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5469 1.6307 2.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9956 -0.1818 -0.6803 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9350 0.6925 2.0694 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4354 0.8440 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7699 0.8374 -0.3863 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9679 -0.7642 0.4996 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 3 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 12 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 23 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 5 34 1 0 6 35 1 0 8 36 1 0 8 37 1 0 8 38 1 0 9 39 1 0 10 40 1 0 11 41 1 0 13 42 1 0 13 43 1 0 13 44 1 0 14 45 1 0 15 46 1 0 16 47 1 0 17 48 1 0 19 49 1 0 19 50 1 0 19 51 1 0 20 52 1 0 21 53 1 0 22 54 1 0 24 55 1 0 24 56 1 0 24 57 1 0 25 58 1 0 26 59 1 0 30 60 1 0 30 61 1 0 30 62 1 0 M END