HMDB0035724 RDKit 3D 15-Deacetylcalonectrin 46 49 0 0 0 0 0 0 0 0999 V2000 5.6584 0.9855 1.0134 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1987 1.0607 1.0989 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6723 1.7340 1.9974 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2993 0.4436 0.2604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9560 0.5638 0.4076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3847 -0.8066 0.7754 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 -1.1371 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2972 -2.5946 -0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0036 -0.5363 0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8352 -1.4327 0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2592 -1.7417 2.1413 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7471 -0.2441 -1.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0952 0.3790 -0.9499 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1018 1.3086 0.1854 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3763 2.0531 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0264 1.5009 0.9234 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7337 0.8140 0.6857 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0488 1.5688 -0.2438 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1186 0.9824 -0.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8532 -0.3160 -1.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7887 -0.6169 -2.7612 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9634 -0.8649 -2.0579 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9671 0.3810 0.1296 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0252 2.0276 0.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1640 0.6891 1.9415 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 1.2176 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -1.6047 0.6713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 -0.8627 1.7972 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5794 -2.8868 -1.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 -2.8514 -1.1704 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3849 -3.1790 0.3791 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9824 -2.3860 0.3570 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8474 -0.9901 1.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5118 -2.6774 2.3837 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8843 -1.1357 -1.8380 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1559 0.5358 -1.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8917 -0.3951 -0.8815 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3513 0.9989 -1.8615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2656 3.1204 0.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5293 2.0387 1.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2493 1.5781 0.0290 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1118 2.2200 1.7640 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2237 0.7451 1.6629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5356 1.6948 -1.4318 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2997 -1.5482 -3.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7942 0.1665 -3.5665 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 9 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 14 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 19 5 1 0 22 20 1 0 20 7 1 0 17 9 1 0 1 23 1 0 1 24 1 0 1 25 1 0 5 26 1 0 6 27 1 0 6 28 1 0 8 29 1 0 8 30 1 0 8 31 1 0 10 32 1 0 10 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 13 37 1 0 13 38 1 0 15 39 1 0 15 40 1 0 15 41 1 0 16 42 1 0 17 43 1 0 19 44 1 0 21 45 1 0 21 46 1 0 M END