HMDB0035479 RDKit 3D Isolicopyranocoumarin 48 51 0 0 0 0 0 0 0 0999 V2000 0.1598 2.9383 -0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0909 1.6921 -1.1142 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4927 0.6179 -0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8340 0.4397 -0.0419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2695 -0.5936 0.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3426 -1.4704 1.2952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0011 -1.2892 1.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8564 -2.1392 1.5761 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -1.9816 1.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 -2.7873 1.8455 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6497 -0.9791 0.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 -0.7697 0.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9717 -0.5759 1.3033 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3181 -0.3280 1.0352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7104 -0.2826 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0312 -0.0394 -0.5992 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 -0.4763 -1.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 -0.7231 -1.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6136 -0.9071 -2.1099 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7417 -0.0854 -0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4078 -0.2418 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6211 -0.7194 0.9589 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5697 -0.3224 -0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9688 -1.5842 -0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8393 0.1913 0.6351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0624 0.6846 -0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0603 1.6642 -1.2352 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8098 1.3897 -0.5994 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8326 3.4601 -0.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4868 2.7757 0.5810 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9123 3.4849 -1.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6728 -2.2765 1.9102 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7073 -0.6020 2.3465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0382 -0.1652 1.8528 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3480 0.9178 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1611 -0.4352 -2.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6391 -1.1119 -1.9968 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0985 0.7471 -0.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9708 -2.4468 -0.0900 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9446 -1.4150 -1.2799 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 -1.7511 -1.5254 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3970 0.7397 -0.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5813 0.7850 1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4754 -0.6538 0.9457 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 0.1829 -1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9600 2.3913 -0.5613 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4125 1.8841 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0361 2.1669 0.1754 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 4 5 1 0 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 11 20 2 0 20 21 1 0 5 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 26 28 1 0 21 3 1 0 28 4 1 0 21 7 2 0 18 12 1 0 1 29 1 0 1 30 1 0 1 31 1 0 6 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 17 36 1 0 19 37 1 0 20 38 1 0 24 39 1 0 24 40 1 0 24 41 1 0 25 42 1 0 25 43 1 0 25 44 1 0 26 45 1 0 27 46 1 0 28 47 1 0 28 48 1 0 M END