HMDB0034098 RDKit 3D Kuwanol C 57 60 0 0 0 0 0 0 0 0999 V2000 7.1760 3.1924 -0.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2377 2.1573 -0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6213 1.4080 -1.7758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1208 1.9343 0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1716 0.9082 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9684 -0.1536 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9799 -1.1795 0.1669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5678 -1.8052 -1.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8064 -2.3040 1.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6491 -2.6939 1.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4098 -2.0432 1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5314 -0.9860 0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6409 -0.3544 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8868 -0.7312 0.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9375 -1.8015 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8262 -2.4886 1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8400 -3.5391 2.4962 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2667 -2.1952 1.6846 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4011 -2.8503 2.7196 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4167 -1.7397 0.8216 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2203 -0.2658 0.6407 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3771 0.4235 0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4970 -0.2549 -0.3098 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5872 0.4282 -0.8636 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5686 1.7940 -1.0531 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6461 2.4885 -1.6032 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4302 2.4729 -0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3485 1.7895 -0.1257 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1979 2.4688 0.2565 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0434 -0.0559 -0.0882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7676 -0.5930 -0.1768 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9355 2.7725 0.6501 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6631 3.6580 -0.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5664 3.9769 0.4618 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7871 0.3382 -1.5354 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5321 1.8224 -2.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8304 1.4570 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8962 2.5235 1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2099 1.4131 -0.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5435 0.4833 -1.3088 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5729 0.3521 1.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9357 -0.6621 0.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 -1.9998 -0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1107 -2.8081 -1.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4053 -1.1584 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6867 -2.8756 1.4652 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5325 -3.5383 2.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5623 0.4760 -0.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5508 -4.0224 2.9574 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2839 -2.2344 -0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3817 -2.0206 1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0226 0.1516 1.6725 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5842 -1.3123 -0.1944 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4917 -0.0979 -1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3926 2.8701 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3854 3.5384 -0.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0805 3.4655 0.1614 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 15 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 2 0 25 26 1 0 25 27 1 0 27 28 2 0 28 29 1 0 21 30 1 0 12 31 1 0 31 7 1 0 16 11 1 0 28 22 1 0 30 14 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 3 36 1 0 3 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 8 43 1 0 8 44 1 0 8 45 1 0 9 46 1 0 10 47 1 0 13 48 1 0 17 49 1 0 20 50 1 0 20 51 1 0 21 52 1 0 23 53 1 0 24 54 1 0 26 55 1 0 27 56 1 0 29 57 1 0 M END