HMDB0036802 RDKit 3D Austroinulin 57 58 0 0 0 0 0 0 0 0999 V2000 5.2898 2.0580 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1880 1.3816 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1630 -0.0534 0.0428 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3873 -0.7708 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0749 -0.7348 0.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8058 -0.1966 0.8665 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6308 -0.4363 -0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3149 -1.8308 -0.3596 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 -2.8391 0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -2.2373 -1.5072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1159 -2.0958 -0.7199 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1561 -3.1286 -1.6601 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9264 -0.9637 -1.1978 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2583 -1.3905 -0.9345 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6358 0.4049 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9219 1.0409 -0.2472 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8625 2.5618 -0.1069 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0538 0.8053 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 0.5589 1.1126 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2669 0.7647 2.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9200 0.2691 1.6892 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5113 0.5017 0.2794 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1271 1.8997 0.1803 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3179 3.1111 0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1856 1.5651 -0.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 1.9436 0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1830 -0.7513 0.2551 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0984 -1.7692 -0.8186 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7479 -0.2202 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1396 -1.8317 0.1605 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 0.8568 1.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6107 -0.6708 1.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0139 0.0290 -1.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5346 -3.5219 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8385 -2.4472 1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1678 -3.5521 0.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2672 -1.4456 -2.0690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5918 -2.5705 0.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7069 -2.7762 -2.4928 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8913 -0.9614 -2.3292 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3358 -2.2950 -1.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3063 1.0498 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6842 3.0812 -1.0581 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3586 2.9221 0.7759 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9566 2.8212 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6171 1.7597 -1.4776 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7413 0.4504 -2.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8967 0.2008 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2092 1.2469 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7705 -0.4464 1.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5382 0.2096 3.0442 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1556 1.8224 2.4457 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 0.6939 2.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9054 -0.8327 1.9343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4445 2.5559 -0.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3452 2.3404 1.1499 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1235 1.8637 -0.3612 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 3 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 8 10 1 0 8 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 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 7 1 0 22 15 1 0 1 24 1 0 1 25 1 0 2 26 1 0 4 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 6 32 1 0 7 33 1 0 9 34 1 0 9 35 1 0 9 36 1 0 10 37 1 0 11 38 1 0 12 39 1 0 13 40 1 0 14 41 1 0 15 42 1 0 17 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 18 48 1 0 19 49 1 0 19 50 1 0 20 51 1 0 20 52 1 0 21 53 1 0 21 54 1 0 23 55 1 0 23 56 1 0 23 57 1 0 M END