HMDB0036661 RDKit 3D Isorosmanol 51 54 0 0 0 0 0 0 0 0999 V2000 4.1568 -0.2086 2.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9746 0.6520 1.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1341 0.3458 0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6899 0.3494 0.4094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9235 -0.7344 0.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7609 -0.9850 0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2857 -0.2447 -0.8458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 0.8101 -1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6368 1.6060 -2.3550 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2256 1.0971 -0.6600 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0020 2.1683 -1.0975 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9980 -0.6988 -1.3729 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5899 -0.0237 -2.5236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3079 1.2232 -2.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3702 1.5735 -0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7972 0.3780 0.0596 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2966 0.2013 -0.2344 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7078 0.7615 1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0166 -0.8459 -0.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4365 -1.4976 0.9902 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3201 -2.4236 1.5401 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1047 -2.1263 0.6267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2688 -2.8809 -0.5974 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7090 -2.1707 -1.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8749 -2.6170 -2.8322 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 -0.1391 3.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4158 -1.2276 2.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0570 0.1906 2.8658 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9554 1.7126 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 1.2180 0.0905 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6983 -0.5570 0.4846 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7578 0.0522 -0.8812 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3016 -1.3050 1.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1275 2.3761 -2.7209 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8713 2.4019 -0.6567 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3505 -0.7617 -2.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9025 0.0875 -3.4036 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3922 1.1129 -2.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9866 2.1378 -2.7670 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4298 1.9617 -0.3404 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1313 2.3618 -0.5845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7182 1.0334 -0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8701 0.0532 0.7156 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3932 -0.7614 -0.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0741 -0.0371 2.1997 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4468 1.6071 1.6742 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7384 1.1962 1.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7655 -1.6059 -0.6350 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2321 -0.7580 1.7991 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1944 -3.3278 1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3129 -2.7315 1.4314 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 1 0 8 10 2 0 10 11 1 0 7 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 16 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 2 0 10 4 1 0 19 12 1 0 22 6 1 0 24 12 1 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 5 33 1 0 9 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 15 40 1 0 15 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 21 50 1 0 22 51 1 0 M END