HMDB0030771 RDKit 3D 6alpha-Hydroxyphaseollin 43 47 0 0 0 0 0 0 0 0999 V2000 -5.4338 0.6509 1.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7144 -0.3063 0.6265 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 -1.6907 0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 0.1160 -0.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7973 0.3481 -1.5156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4580 0.2008 -0.9830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3067 0.4277 -1.6983 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0444 0.2732 -1.1443 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0887 -0.1211 0.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0392 -0.3558 0.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2936 -0.1973 0.3435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4201 -0.4275 1.0708 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5181 -0.1925 0.4407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0824 -1.4192 0.0969 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9971 0.3021 1.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4246 0.3567 1.6922 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1301 0.2873 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4921 -0.0047 0.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1382 -0.0614 -0.7106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5142 -0.3532 -0.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5058 0.1536 -1.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1555 0.4404 -1.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4739 0.5063 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0465 0.8028 -0.6137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2464 0.4530 -1.6976 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4336 0.2112 1.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9234 0.7172 2.5532 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4984 1.6761 1.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1861 -1.7709 -0.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7382 -1.7894 1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6333 -2.4833 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8741 0.2388 -1.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9121 0.6588 -2.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4411 0.7415 -2.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9867 -0.6726 1.9631 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 -1.7368 0.8679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5468 1.2768 1.9713 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7778 -0.4648 2.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9904 -0.1738 1.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0221 -0.5173 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0771 0.0944 -2.8563 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6442 0.6133 -2.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8740 1.8369 -0.2516 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 9 13 1 0 13 14 1 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 1 0 19 21 2 0 21 22 1 0 22 23 2 0 23 24 1 0 24 25 1 0 12 2 1 0 24 13 1 0 11 6 1 0 23 17 1 0 25 8 1 0 1 26 1 0 1 27 1 0 1 28 1 0 3 29 1 0 3 30 1 0 3 31 1 0 4 32 1 0 5 33 1 0 7 34 1 0 10 35 1 0 14 36 1 0 15 37 1 0 15 38 1 0 18 39 1 0 20 40 1 0 21 41 1 0 22 42 1 0 24 43 1 0 M END