HMDB0038873 RDKit 3D Isoglycycoumarin 47 50 0 0 0 0 0 0 0 0999 V2000 -0.2886 2.5318 1.5111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4204 1.1354 1.7185 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6913 0.3555 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0330 0.1351 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3534 -0.6414 -0.7914 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 -1.1857 -1.5491 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 -0.9891 -1.2648 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9767 -1.5052 -1.9850 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2488 -1.3231 -1.7238 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1498 -1.8520 -2.4621 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6375 -0.5570 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0458 -0.3264 -0.3243 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6560 0.8922 -0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9840 1.1033 -0.2475 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7142 0.0434 0.2998 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0596 0.2499 0.6084 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1058 -1.1617 0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7773 -1.3612 0.2156 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1876 -2.5958 0.4519 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6441 -0.0007 0.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2882 -0.2033 -0.1594 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6921 -0.8868 -1.1455 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7549 -0.3427 -0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1287 0.9990 -0.9309 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9781 -1.2298 -0.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3099 -0.1913 1.0763 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1113 0.7225 1.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7905 2.7439 1.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6678 3.1154 2.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 2.8451 0.5814 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5851 -1.7917 -2.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0893 1.7077 -0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 2.0488 -0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7265 0.0465 -0.1249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6633 -1.9958 0.9479 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2110 -2.7174 0.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8471 0.6138 0.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1126 0.9575 -1.4832 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4014 1.3448 -1.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2752 1.7748 -0.1516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8299 -0.5788 -0.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2189 -1.4762 -1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8724 -2.1271 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9985 -1.1804 1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1714 0.2312 1.6372 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4449 1.7160 0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8012 0.9068 2.1671 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 5 6 2 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 2 0 18 19 1 0 11 20 2 0 20 21 1 0 5 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 21 3 1 0 27 4 1 0 21 7 2 0 18 12 1 0 1 28 1 0 1 29 1 0 1 30 1 0 6 31 1 0 13 32 1 0 14 33 1 0 16 34 1 0 17 35 1 0 19 36 1 0 20 37 1 0 24 38 1 0 24 39 1 0 24 40 1 0 25 41 1 0 25 42 1 0 25 43 1 0 26 44 1 0 26 45 1 0 27 46 1 0 27 47 1 0 M END