HMDB0034295 RDKit 3D Floionolic acid 59 58 0 0 0 0 0 0 0 0999 V2000 8.4174 -1.7011 0.5082 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1024 -0.6202 1.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6532 -0.3977 2.3361 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1947 0.3738 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7925 -0.1688 -0.9040 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8682 0.7423 -1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5742 1.0151 -0.9284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -0.2197 -0.6527 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5313 0.1258 0.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 1.0558 -0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3814 1.3986 0.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5815 2.0099 1.2680 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5001 0.1554 0.1420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5634 -0.3017 -1.1967 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8256 0.6213 0.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8341 -0.4436 0.8253 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1515 -1.1828 -0.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2161 -2.2409 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5104 -1.6768 0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1256 -0.6881 -0.6333 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4189 -0.1880 -0.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2582 0.4934 1.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5449 0.9006 1.6862 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5964 -0.0815 2.3728 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8126 1.2987 0.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3351 0.5800 1.0942 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3880 -1.1798 -0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 -0.2779 -1.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3791 1.7118 -1.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6584 0.3219 -2.6681 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 1.6118 -0.0286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9750 1.6476 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4235 -0.8730 0.0075 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4812 -0.7606 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9573 -0.8108 0.3514 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7931 0.5694 1.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4212 0.6396 -1.6539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2063 2.0237 -0.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1798 2.1162 -0.5932 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6005 2.9871 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0140 -0.5960 0.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1466 -0.9756 -1.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6400 1.1825 1.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2295 1.3832 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 0.0660 1.1271 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5578 -1.1440 1.6561 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1957 -1.7210 -0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3893 -0.4905 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4206 -2.7307 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8207 -3.0063 0.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3539 -1.1856 1.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2724 -2.5081 0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4796 0.2006 -0.8021 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3798 -1.1497 -1.6104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9783 0.4618 -0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0408 -1.1118 0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6550 1.3955 1.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9169 -0.1882 2.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8631 1.5310 0.9882 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 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 3 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 10 38 1 0 11 39 1 0 12 40 1 0 13 41 1 0 14 42 1 0 15 43 1 0 15 44 1 0 16 45 1 0 16 46 1 0 17 47 1 0 17 48 1 0 18 49 1 0 18 50 1 0 19 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 23 59 1 0 M END