HMDB0092934 RDKit 3D DG(8:0/0:0/18:0) 90 89 0 0 0 0 0 0 0 0999 V2000 -10.5330 -1.5768 -2.0145 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1892 -1.8831 -1.3621 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1927 -0.7869 -1.7403 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6679 0.5620 -1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8447 0.6112 0.2263 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5203 0.3230 0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6845 0.3954 2.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3974 0.1065 3.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3660 1.1026 2.7635 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0363 0.9571 3.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2918 -0.2929 3.2066 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9666 -0.6605 1.8051 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 0.4252 1.1369 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8477 -0.0446 -0.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0499 1.0809 -0.9226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 0.6948 -2.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1110 -0.5280 -2.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4150 -0.2469 -1.6929 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1456 -1.2180 -1.4573 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7739 1.0265 -1.3403 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9470 1.3656 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0497 0.6913 0.6280 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9649 1.0264 1.4466 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 1.0483 1.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4674 0.7428 0.5466 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8308 -0.4979 0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1041 -1.4747 0.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0662 -0.6845 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6823 0.6640 -0.9375 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9450 0.6805 -1.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9712 -0.1871 -1.0904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2917 -0.2185 -1.8555 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2202 -1.1338 -1.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4286 -0.6042 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1268 -2.4857 -2.0878 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3947 -1.0783 -2.9990 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0958 -0.8504 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8177 -2.8524 -1.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3400 -1.9652 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0860 -0.7908 -2.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2069 -1.0002 -1.3098 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6136 0.8261 -1.7890 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8751 1.2947 -1.5819 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5589 -0.1329 0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2062 1.6186 0.5319 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8006 1.0042 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2025 -0.7241 0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0760 1.4017 2.7420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4012 -0.4079 2.7214 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5191 0.1408 4.2553 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1291 -0.9420 2.9153 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2447 1.2517 1.6586 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7597 2.1104 3.1006 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4169 1.8352 3.0585 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1698 1.1345 4.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3062 -0.1736 3.7477 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7988 -1.1449 3.7318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8443 -0.8322 1.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 -1.6232 1.8227 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7281 1.3620 1.0276 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2274 0.6560 1.6871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2024 -0.9443 -0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7575 -0.2992 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7210 1.9808 -0.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 1.2739 -0.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2037 1.5866 -2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6632 0.5812 -2.9405 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3214 -0.8390 -3.4506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3113 -1.4327 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 1.1050 -1.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9535 2.4863 -0.5862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0592 -0.3995 0.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0122 0.4972 2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3327 2.1627 1.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3841 0.5357 2.3205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6900 -1.0404 -1.7555 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 -1.4403 -0.3563 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9340 1.3843 -1.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9419 1.1230 0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2890 1.7337 -1.8659 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7018 0.3207 -2.7779 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 0.1657 -0.0646 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5868 -1.2284 -1.1177 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 0.8102 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1391 -0.6289 -2.8557 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7235 -2.1203 -0.9891 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1938 -1.2515 -1.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7785 -1.1253 1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1656 0.4688 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4866 -0.7669 0.6227 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 1 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 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 6 47 1 0 7 48 1 0 7 49 1 0 8 50 1 0 8 51 1 0 9 52 1 0 9 53 1 0 10 54 1 0 10 55 1 0 11 56 1 0 11 57 1 0 12 58 1 0 12 59 1 0 13 60 1 0 13 61 1 0 14 62 1 0 14 63 1 0 15 64 1 0 15 65 1 0 16 66 1 0 16 67 1 0 17 68 1 0 17 69 1 0 21 70 1 0 21 71 1 0 22 72 1 6 23 73 1 0 24 74 1 0 24 75 1 0 28 76 1 0 28 77 1 0 29 78 1 0 29 79 1 0 30 80 1 0 30 81 1 0 31 82 1 0 31 83 1 0 32 84 1 0 32 85 1 0 33 86 1 0 33 87 1 0 34 88 1 0 34 89 1 0 34 90 1 0 M END