HMDB0041453 RDKit 3D D8'-Merulinic acid C 65 65 0 0 0 0 0 0 0 0999 V2000 10.4014 -1.0870 1.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3827 -0.4094 0.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9992 -1.0432 0.9014 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0157 -0.3058 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6705 -0.9352 0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5739 -0.3183 -0.6398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3718 1.1303 -0.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3006 1.7967 -1.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9132 1.4062 -0.8925 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4409 0.5625 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0199 0.2533 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8374 0.9946 -0.8776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3028 0.6220 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1745 1.3292 -1.6868 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6352 1.0199 -1.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9319 -0.4722 -1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4269 -0.7081 -1.5880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9451 -0.2706 -0.2814 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4844 1.0207 -0.2286 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9482 1.5355 0.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8927 0.8103 2.0968 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3617 -0.4943 2.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3528 -1.1350 3.2993 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8989 -0.9953 0.8864 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3845 -2.3523 0.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9560 -2.8725 -0.1653 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3547 -3.1267 2.0514 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3425 -1.1791 0.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6175 -0.4716 2.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0041 -2.0757 1.8902 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3529 0.6674 0.9724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6770 -0.4595 -0.3548 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0710 -2.0789 0.5236 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7011 -1.0269 1.9507 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3645 -0.4836 -1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0325 0.7707 0.1725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3404 -0.9466 1.2373 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7161 -2.0164 -0.1248 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6617 -0.8913 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9010 -0.4329 -1.7291 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 1.3114 0.7494 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3480 1.6611 -0.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3756 2.8946 -0.9177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5791 1.7272 -2.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1014 1.8514 -1.5277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0836 0.0853 0.7029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3871 0.4141 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1131 -0.8426 -0.0991 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7386 2.0803 -0.6702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 0.7136 -1.9052 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4174 -0.4798 -0.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5809 0.9417 0.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0386 2.4091 -1.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8699 1.0553 -2.7284 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0088 1.3840 -0.5660 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1915 1.5984 -2.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6159 -0.7777 -2.7186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3795 -0.9818 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7349 -1.7460 -1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9081 -0.0523 -2.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5165 1.5798 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3549 2.5421 0.9373 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2683 1.2405 3.0409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0930 -1.9686 3.6841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9040 -3.9718 2.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 25 26 2 0 25 27 1 0 24 18 1 0 1 28 1 0 1 29 1 0 1 30 1 0 2 31 1 0 2 32 1 0 3 33 1 0 3 34 1 0 4 35 1 0 4 36 1 0 5 37 1 0 5 38 1 0 6 39 1 0 6 40 1 0 7 41 1 0 7 42 1 0 8 43 1 0 8 44 1 0 9 45 1 0 10 46 1 0 11 47 1 0 11 48 1 0 12 49 1 0 12 50 1 0 13 51 1 0 13 52 1 0 14 53 1 0 14 54 1 0 15 55 1 0 15 56 1 0 16 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 19 61 1 0 20 62 1 0 21 63 1 0 23 64 1 0 27 65 1 0 M END