HMDB0030710 RDKit 3D Cyclomammeisin 57 60 0 0 0 0 0 0 0 0999 V2000 -2.5174 3.5920 1.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0059 2.8125 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5122 2.6810 0.2606 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3522 1.4535 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8755 1.6515 0.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3951 2.8040 0.0584 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0329 0.5118 -0.0304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5511 -0.7617 -0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2923 -1.8293 -0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6482 -1.6929 -0.2093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4342 -2.7673 -0.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7329 -2.6978 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4420 -3.7523 -0.4644 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3732 -1.4831 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5961 -0.3106 -0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2530 0.9719 -0.4266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0506 1.3988 0.6139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 2.6061 0.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6592 3.3966 -0.5777 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8713 2.9839 -1.6165 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1743 1.7734 -1.5316 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2392 -0.4299 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3965 0.6944 -0.1342 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0126 1.8929 -0.1499 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5635 -3.0418 -0.0633 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8860 -2.4854 -0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0499 -3.3340 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3758 -2.7612 -0.4813 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9216 -3.6608 1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9233 -4.5538 -0.8173 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8834 -1.2099 0.0806 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0125 2.8869 2.1375 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8508 4.4390 1.1805 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4202 3.9779 2.0166 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7247 3.4011 -0.6314 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7632 1.6374 0.0512 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9730 3.4019 -0.4368 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8820 2.9513 1.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5204 0.8422 1.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6813 0.9735 -0.7517 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4205 -1.3426 -0.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1392 0.7949 1.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3753 2.9275 1.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1851 4.3285 -0.6639 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7738 3.5754 -2.5082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5570 1.4504 -2.3553 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7902 2.8263 -0.1060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6085 -3.3592 1.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1770 -3.8522 -0.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -2.3303 -1.6188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1579 -3.2991 0.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6503 -2.9521 -1.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4842 -1.6805 -0.2742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5367 -2.8023 1.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2280 -4.5208 1.4340 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9209 -3.9079 1.7549 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9732 -4.8196 -0.7253 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 15 22 1 0 22 23 2 0 23 24 1 0 9 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 27 30 1 0 26 31 1 0 23 7 1 0 31 8 1 0 22 10 1 0 21 16 1 0 1 32 1 0 1 33 1 0 1 34 1 0 2 35 1 0 3 36 1 0 3 37 1 0 3 38 1 0 4 39 1 0 4 40 1 0 14 41 1 0 17 42 1 0 18 43 1 0 19 44 1 0 20 45 1 0 21 46 1 0 24 47 1 0 25 48 1 0 25 49 1 0 26 50 1 0 28 51 1 0 28 52 1 0 28 53 1 0 29 54 1 0 29 55 1 0 29 56 1 0 30 57 1 0 M END