HMDB0038418 RDKit 3D Glucoconringiin 45 45 0 0 0 0 0 0 0 0999 V2000 -2.7417 -1.9802 -1.5818 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5879 -1.0888 -0.6786 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8200 -1.9334 -0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0300 0.0497 -1.3063 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8822 -0.8190 0.6309 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5886 -0.1464 0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4068 0.9977 1.0217 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4426 1.5465 1.7360 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5755 3.1935 2.0643 S 0 0 0 0 0 6 0 0 0 0 0 0 -2.4411 3.4944 3.5290 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9484 3.6427 1.6358 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4622 4.1136 1.2409 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2548 -0.8705 -0.4536 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2107 0.2386 -0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 0.3474 0.7970 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 0.1518 1.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1763 -1.1902 1.7627 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7471 -2.2533 0.9856 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0007 0.2448 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0542 1.1118 0.2556 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3791 0.7358 -1.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2796 0.7032 -2.3531 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1621 -0.1379 -1.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5402 0.1670 -2.7538 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0880 -2.5899 -0.9240 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3911 -2.6754 -2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -1.3395 -2.2459 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1137 -2.5770 -1.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6257 -1.2073 -0.0954 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 -2.5192 0.6073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9245 -0.0442 -2.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5811 -0.2562 1.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -1.7921 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7307 5.0720 1.3329 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7913 1.2446 -0.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3271 0.9103 1.8565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2395 -1.3900 2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6080 -1.2439 2.7151 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3570 -2.5136 0.2749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4543 -0.7446 -0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9122 0.6456 0.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0109 1.7774 -1.0994 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5057 1.6062 -2.6817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4512 -1.2098 -1.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1728 0.5278 -3.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 2 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 2 0 9 12 1 0 6 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 16 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 5 33 1 0 12 34 1 0 14 35 1 0 16 36 1 0 17 37 1 0 17 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 21 42 1 0 22 43 1 0 23 44 1 0 24 45 1 0 M END