HMDB0038905 RDKit 3D Isoangustone A 57 59 0 0 0 0 0 0 0 0999 V2000 7.3676 2.0993 -1.7548 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6311 1.9670 -0.4610 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 2.1800 0.7746 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3538 1.6770 -0.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4506 1.5027 0.6659 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 0.1458 0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5423 -0.0375 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9541 -1.2914 0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5781 -1.4597 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2201 -2.4885 -1.0983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0100 -2.6154 -1.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9343 -1.7521 -1.1591 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2323 -1.8985 -1.6324 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2231 -1.0168 -1.2642 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5251 -1.1846 -1.7550 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0003 0.0377 -0.4270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0502 1.0100 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9926 0.5064 0.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3033 0.4426 0.8212 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9090 0.9158 -0.4555 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1779 -0.0941 1.9166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6859 0.2042 0.0666 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4723 1.2470 0.8930 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6910 -0.6917 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3936 -0.5622 0.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0495 0.3504 0.9149 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7266 -2.3375 0.6999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0378 -2.1587 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7981 -3.2379 1.6038 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6113 -0.9019 1.1413 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9043 -0.6457 1.5672 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9358 1.3651 -2.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4457 1.8615 -1.6601 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1998 3.1346 -2.1308 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2819 2.8551 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 2.5366 1.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8832 1.1903 1.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 1.5426 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0586 1.6136 1.6019 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 2.3011 0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9789 0.8305 -0.1093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0014 -3.1785 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4168 -2.7316 -2.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7241 -1.9725 -2.3899 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5794 1.9786 0.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6007 1.3009 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5768 0.1509 1.9207 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0006 1.1060 -0.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8231 0.2116 -1.2827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5121 1.9362 -0.7383 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1217 -0.4201 1.4864 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4109 0.7253 2.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6938 -0.9589 2.4292 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7002 1.5615 1.3423 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2891 -3.3219 0.7072 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3637 -4.1489 1.6001 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5098 -1.3810 1.9116 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 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 19 21 1 0 16 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 8 27 2 0 27 28 1 0 28 29 1 0 28 30 2 0 30 31 1 0 30 6 1 0 25 9 1 0 24 12 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 7 41 1 0 10 42 1 0 13 43 1 0 15 44 1 0 17 45 1 0 17 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 23 54 1 0 27 55 1 0 29 56 1 0 31 57 1 0 M END