HMDB0034173 RDKit 3D Phaseollin 42 46 0 0 0 0 0 0 0 0999 V2000 -5.3685 0.4394 1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4980 -0.2719 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3996 -1.2514 -0.3048 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5165 -1.0724 1.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2310 -0.9830 1.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7149 -0.0584 0.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 0.7030 -0.6723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0997 1.5847 -1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7332 1.6861 -1.8104 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1390 0.9201 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3342 0.0296 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7672 -0.6325 0.4334 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8083 0.3218 0.3635 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1653 -0.2261 0.3873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5545 -1.3596 1.0198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8861 -1.7762 0.9653 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8353 -1.0554 0.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1447 -1.5111 0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4311 0.1078 -0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1159 0.5238 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7552 1.6972 -0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3837 2.0390 -1.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5929 0.7956 -1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9741 0.6113 -0.4784 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9872 -0.3575 1.9604 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9843 1.2209 1.0407 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 0.8162 2.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9640 -1.4963 -1.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3575 -0.7009 -0.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5081 -2.1376 0.3291 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8995 -1.7679 1.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5532 -1.5929 1.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7999 2.1946 -2.1728 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3253 2.3851 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6755 1.1585 1.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8141 -1.9298 1.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1733 -2.6960 1.4855 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8444 -1.2616 0.9200 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2010 0.6496 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0271 2.7791 -0.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2761 2.4850 -2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9400 -0.0371 -1.7360 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 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 17 19 1 0 19 20 2 0 20 21 1 0 21 22 1 0 22 23 1 0 7 24 1 0 24 2 1 0 11 6 1 0 23 13 1 0 23 10 1 0 20 14 1 0 1 25 1 0 1 26 1 0 1 27 1 0 3 28 1 0 3 29 1 0 3 30 1 0 4 31 1 0 5 32 1 0 8 33 1 0 9 34 1 0 13 35 1 0 15 36 1 0 16 37 1 0 18 38 1 0 19 39 1 0 22 40 1 0 22 41 1 0 23 42 1 0 M END