HMDB0035865 RDKit 3D Melledonal A 59 62 0 0 0 0 0 0 0 0999 V2000 -5.2487 0.8396 -2.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4008 0.6114 -0.7078 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7001 0.6034 -0.2125 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9076 0.3984 1.1270 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2216 0.3940 1.6052 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8282 0.2069 1.9418 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5223 0.2131 1.4551 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5205 0.0098 2.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2922 0.4178 0.1098 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9518 0.4343 -0.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8066 0.6277 -1.6988 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8257 0.2523 0.2864 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5092 0.2591 -0.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4912 0.9925 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2378 -0.2721 0.9617 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2809 -0.5502 2.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5626 -0.4645 0.3707 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6330 0.4788 0.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2440 1.7757 0.9717 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6590 0.3583 -0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9463 -0.2270 0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8839 1.7254 -0.9656 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0803 -0.6122 -1.3728 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5845 -0.4173 -1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2450 0.7930 -1.6732 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7906 -1.5627 -1.5835 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -1.8402 -0.9262 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1575 -2.9986 -1.3542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1897 -3.7164 -2.3210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1946 -1.0413 0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5579 -1.7952 1.1131 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2570 0.9829 -2.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7757 -0.0449 -2.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6798 1.7712 -2.3217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5334 0.7567 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6189 1.2824 1.9116 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9674 0.0438 2.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5557 -0.0347 2.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4515 0.4351 -1.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0662 1.7857 0.1259 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0024 1.4120 1.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7350 0.3279 2.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9256 -1.4422 2.6319 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2864 -0.8018 2.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9119 -1.5049 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0949 0.1064 1.7118 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9952 2.2381 1.4558 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0703 -1.2701 -0.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -0.2849 1.3053 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8386 0.3335 -0.1117 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0902 1.6943 -2.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 2.2517 -0.4737 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9817 2.3554 -0.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3609 -0.3375 -2.4144 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3046 -1.6606 -1.1258 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7828 0.9434 -2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0816 -2.1895 -2.4187 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0601 -3.1991 -0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5090 -1.8439 0.7863 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 4 6 2 0 6 7 1 0 7 8 1 0 7 9 2 0 9 10 1 0 10 11 2 0 10 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 2 0 27 30 1 0 30 31 1 0 9 2 1 0 30 13 1 0 30 15 1 0 24 17 1 0 1 32 1 0 1 33 1 0 1 34 1 0 3 35 1 0 5 36 1 0 6 37 1 0 8 38 1 0 13 39 1 0 14 40 1 0 14 41 1 0 16 42 1 0 16 43 1 0 16 44 1 0 17 45 1 0 18 46 1 0 19 47 1 0 21 48 1 0 21 49 1 0 21 50 1 0 22 51 1 0 22 52 1 0 22 53 1 0 23 54 1 0 23 55 1 0 25 56 1 0 26 57 1 0 28 58 1 0 31 59 1 0 M END