HMDB0033342 RDKit 3D Mollicellin E 50 52 0 0 0 0 0 0 0 0999 V2000 3.5613 3.1328 -1.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1862 1.7810 -1.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0162 1.3528 -0.9585 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8783 1.2170 -1.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 1.5047 -3.0664 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3159 0.7917 -1.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4118 0.4872 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7353 0.6267 0.9505 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7515 0.3098 2.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9453 1.0552 0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1113 1.2154 1.1793 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2717 2.3642 1.7239 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1151 0.2188 1.4298 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2059 -1.0091 1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3973 -1.8264 1.4516 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2443 -1.6957 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5333 0.0498 0.9510 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -0.3072 0.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 -0.5934 1.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3202 -0.5183 2.9358 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1947 -0.1923 3.3300 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9622 -0.9673 1.2391 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8684 -1.2660 2.2482 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3620 -1.0455 -0.0554 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0068 -1.5201 -0.4670 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.5214 -0.7636 -1.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9501 -0.8382 -2.5285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2406 -0.3960 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4449 -0.1058 -2.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8266 -0.6805 -3.0375 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3347 0.7313 -2.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6247 3.3028 -1.3940 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8560 3.7590 -1.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5257 3.4215 -2.7788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6935 1.8129 -3.5598 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1570 1.0666 2.9383 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8134 0.3082 2.7554 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3418 -0.6838 2.5837 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 0.5111 2.0971 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 -1.4973 2.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2810 -1.5976 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1979 -2.9020 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2485 -1.7210 0.6310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5710 -2.7822 -0.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1641 -1.2178 -0.8751 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0467 -0.7483 3.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8076 -1.5380 2.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0927 -0.9171 -2.4429 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9191 0.0926 -3.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7819 -1.7828 -3.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 4 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 8 10 2 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 3 14 15 1 0 14 16 1 0 7 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 19 22 1 0 22 23 1 0 22 24 2 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 2 0 28 29 1 0 29 30 2 0 29 31 1 0 10 3 1 0 28 18 1 0 31 6 1 0 1 32 1 0 1 33 1 0 1 34 1 0 5 35 1 0 9 36 1 0 9 37 1 0 9 38 1 0 13 39 1 0 15 40 1 0 15 41 1 0 15 42 1 0 16 43 1 0 16 44 1 0 16 45 1 0 20 46 1 0 23 47 1 0 27 48 1 0 27 49 1 0 27 50 1 0 M END