HMDB0033290 RDKit 3D Junosmarin 47 49 0 0 0 0 0 0 0 0999 V2000 5.8391 1.0356 -0.5629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 0.6639 -0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5379 -0.6993 -1.6649 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5986 0.5194 0.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1886 0.1510 -0.0868 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8645 0.0071 -1.2739 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2224 -0.0398 0.8534 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1018 -0.3806 0.6526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0970 0.6899 1.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3070 0.8080 2.3785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 0.2950 0.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7552 -1.0369 0.5226 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9429 -1.4958 -0.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7575 -0.5773 -0.6824 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 0.7493 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1931 1.6529 -1.4378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 2.9650 -1.5096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5674 3.3260 -0.9331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 4.5237 -1.0198 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8018 2.4504 -0.3104 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1948 1.2056 -0.2378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8851 -1.8762 1.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4849 -1.7387 1.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0780 -2.0368 2.5338 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0626 -2.7759 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 1.9931 0.0245 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2430 0.2711 0.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5247 1.0927 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0620 1.4397 -1.6902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5193 -0.7540 -2.2059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7204 -0.8669 -2.3944 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5850 -1.4539 -0.8663 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6334 1.4742 0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0262 -0.2776 0.8584 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2235 -0.4699 -0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7439 1.6361 0.5791 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8577 1.6632 2.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2036 -2.5294 0.0734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6904 -0.9136 -1.1165 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1307 1.3681 -1.8863 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4123 3.6662 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0625 -2.5777 2.4544 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6084 -2.8015 2.9988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1068 -1.1879 3.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1055 -3.0540 0.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5811 -3.6992 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 -2.4043 -0.8269 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 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 12 22 1 0 22 23 1 0 23 24 1 0 23 25 1 0 23 8 1 0 21 11 1 0 21 15 2 0 1 26 1 0 1 27 1 0 1 28 1 0 2 29 1 0 3 30 1 0 3 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 8 35 1 0 9 36 1 0 10 37 1 0 13 38 1 0 14 39 1 0 16 40 1 0 17 41 1 0 24 42 1 0 24 43 1 0 24 44 1 0 25 45 1 0 25 46 1 0 25 47 1 0 M END