HMDB0031919 RDKit 3D Chaetoglobosin N 78 83 0 0 0 0 0 0 0 0999 V2000 7.4168 2.9147 0.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1689 1.9818 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3320 0.8836 0.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4821 -0.2644 0.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 -1.2809 -0.2133 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -0.3336 2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0737 -0.0934 1.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0934 -0.7590 1.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6318 -0.6330 1.1650 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 -1.9697 1.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7630 -3.0415 0.9005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5869 -2.7772 0.6269 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4911 -3.9170 1.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9026 -2.2930 -0.7294 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -2.9231 -1.3159 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0911 -0.7729 -0.7143 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2553 -0.3435 0.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3753 0.3877 -0.6532 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1537 1.7070 -1.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7272 0.0626 -0.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3824 -1.1642 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6656 -1.0997 -0.0081 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.8732 0.1555 0.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0221 0.6763 0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9372 1.9895 1.4395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7754 2.7164 1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6367 2.1734 0.7844 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7155 0.8686 0.3301 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6425 0.8009 0.8431 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4606 1.2171 0.1425 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0806 2.3492 -0.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1763 -0.1393 -0.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1641 -0.0179 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9404 -0.6068 -2.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3645 0.7335 -1.1875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2317 1.0833 -2.3368 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2330 2.1064 -1.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2406 2.9080 -3.0068 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 2.4014 -0.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 3.5852 -0.2951 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9865 3.9324 0.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9123 2.9883 -0.8683 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0853 2.6763 0.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3514 0.8642 1.1894 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3343 -0.9071 1.4635 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4694 -1.5820 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 -2.2399 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9898 -0.9398 -1.1543 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -1.1923 2.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 0.4595 2.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0015 0.9466 2.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 -1.7693 0.8086 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0635 -0.0258 1.9566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 -2.2105 2.6453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5362 -3.6296 1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1873 -4.1773 2.1858 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3688 -4.8372 0.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0769 -2.5038 -1.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9648 -2.9729 -0.5966 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3392 -2.4638 -2.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8784 -4.0056 -1.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1565 -0.4755 -1.7769 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6144 -1.0311 0.8281 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3619 -0.2622 -1.7181 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7106 2.4955 -0.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5359 1.7272 -2.1822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1590 2.0941 -1.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9526 -2.0507 -0.7945 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3429 -1.9025 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9218 0.1063 1.0532 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8410 2.3827 1.8840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7507 3.7160 1.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7106 2.7029 0.6915 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0751 1.1566 1.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1165 0.2493 -0.5972 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 1.7687 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5271 1.4407 -3.1214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7842 0.1997 -2.7765 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 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 17 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 2 0 39 2 1 0 32 9 1 0 12 10 1 0 32 16 1 0 28 20 1 0 28 23 1 0 1 41 1 0 1 42 1 0 1 43 1 0 3 44 1 0 4 45 1 0 5 46 1 0 5 47 1 0 5 48 1 0 6 49 1 0 6 50 1 0 7 51 1 0 8 52 1 0 9 53 1 0 10 54 1 0 13 55 1 0 13 56 1 0 13 57 1 0 14 58 1 0 15 59 1 0 15 60 1 0 15 61 1 0 16 62 1 0 17 63 1 0 18 64 1 0 19 65 1 0 19 66 1 0 19 67 1 0 21 68 1 0 22 69 1 0 24 70 1 0 25 71 1 0 26 72 1 0 27 73 1 0 29 74 1 0 35 75 1 0 35 76 1 0 36 77 1 0 36 78 1 0 M END