HMDB0039691 RDKit 3D Ganolucidic acid C 83 86 0 0 0 0 0 0 0 0999 V2000 6.4868 -2.2409 1.6126 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 -1.1859 0.9443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6527 0.1461 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3598 0.1028 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0582 -0.9737 -0.2991 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 1.3416 0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2719 1.2288 -0.6572 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6844 0.7473 -2.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3217 0.2813 -0.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9930 0.6242 1.4047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4885 0.6409 1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1156 1.6150 2.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0673 1.0407 0.1395 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4195 2.4962 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3729 0.7924 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8501 -0.4107 -0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9070 -1.5025 -0.4931 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3162 -2.6611 -0.8329 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5257 -1.3090 -0.3082 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9844 0.1210 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 0.2749 -2.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2940 -0.7792 -0.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6585 -1.1505 -1.7083 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4527 -1.9561 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4962 -1.6981 1.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7807 -1.1562 1.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3336 -2.0883 0.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5009 0.1661 0.4767 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9580 1.2311 1.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3676 0.3593 -0.7366 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7123 0.3014 -0.3086 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0511 0.3802 0.2578 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7070 1.5942 -0.5425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2896 1.9826 -0.1833 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8394 -1.6150 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5649 -2.7350 -0.8665 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6436 -0.7669 -1.1130 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1674 -2.9785 2.1072 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8815 -1.7062 2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8714 -2.8085 0.8990 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2346 -1.0546 1.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4827 0.4585 1.9540 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3491 0.8667 0.4389 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2029 2.0756 -0.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4568 1.8537 1.0759 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8973 2.2522 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7600 1.0695 -2.2691 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7363 -0.3518 -2.1145 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1222 1.2441 -2.8620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 -0.7187 -0.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4409 1.5612 1.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3567 -0.1650 2.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0537 -0.3055 1.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6576 1.5203 3.2921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5903 2.8335 -1.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1967 2.8110 0.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4888 3.0788 0.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0474 -1.9630 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9342 -1.6563 0.6579 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8240 1.3128 -2.4778 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2308 -0.0820 -2.3311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4573 -0.4367 -2.6374 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0637 -0.3611 -2.3386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4040 -1.9974 -1.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7758 -1.5629 -2.2813 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5089 -2.2067 1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7185 -2.8530 0.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1340 -1.0197 2.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7547 -2.6836 2.1481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5040 -1.0869 1.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7647 -2.9183 0.2185 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8703 0.8645 2.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2944 2.1563 0.9427 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1497 1.4791 2.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2834 -0.5089 -1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2398 1.3299 -1.2273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7426 -0.2486 0.5122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5975 0.5530 1.2814 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3790 2.4217 -0.1667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8760 1.5271 -1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3552 2.4716 0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 2.6258 -0.9960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3242 0.0683 -1.5589 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 2 0 4 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 13 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 16 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 28 32 1 0 32 33 1 0 33 34 1 0 2 35 1 0 35 36 2 0 35 37 1 0 20 9 1 0 32 22 1 0 20 13 1 0 34 15 1 0 1 38 1 0 1 39 1 0 1 40 1 0 2 41 1 0 3 42 1 0 3 43 1 0 6 44 1 0 6 45 1 0 7 46 1 0 8 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 10 52 1 0 11 53 1 0 12 54 1 0 14 55 1 0 14 56 1 0 14 57 1 0 19 58 1 0 19 59 1 0 21 60 1 0 21 61 1 0 21 62 1 0 23 63 1 0 23 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 25 68 1 0 25 69 1 0 26 70 1 0 27 71 1 0 29 72 1 0 29 73 1 0 29 74 1 0 30 75 1 0 30 76 1 0 31 77 1 0 32 78 1 0 33 79 1 0 33 80 1 0 34 81 1 0 34 82 1 0 37 83 1 0 M END