HMDB0304731 RDKit 3D Rose oxide (cis) 54 56 0 0 0 0 0 0 0 0999 V2000 8.7468 -0.5155 3.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6300 0.0665 1.7952 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3932 0.2132 1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2680 -0.2224 1.8457 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0017 -0.0872 1.2506 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8680 0.4763 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5861 0.6370 -0.6441 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4212 0.2769 -0.1523 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1375 0.4622 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0464 1.0331 -2.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2078 1.1623 -2.6852 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2614 1.7512 -3.9613 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3601 0.7387 -2.0540 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2412 0.1692 -0.8037 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3319 -0.2748 -0.1141 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6800 -0.2613 -0.4677 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3301 0.5779 0.4247 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7057 0.5506 0.2877 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.2934 1.6708 1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6791 1.7278 1.0107 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1426 -0.8025 0.8666 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5175 -0.9073 0.9229 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6059 -1.8352 -0.0951 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8324 -3.1164 0.4104 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1741 -1.6772 -0.4272 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9642 -2.2178 -1.7169 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 0.0344 -0.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0096 0.9034 -0.6316 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2725 0.7822 -0.0673 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4176 1.2081 -0.7049 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5057 -1.6061 2.9946 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8124 -0.4333 3.3754 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0571 -0.0471 3.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -0.6683 2.8274 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1400 -0.4392 1.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5978 1.0983 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4246 -0.1837 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9327 1.3736 -2.6227 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 1.1779 -4.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3192 0.8693 -2.5653 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8049 0.1897 -1.4651 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0300 0.5554 -0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8741 2.6214 0.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9304 1.5709 2.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0116 2.2272 0.2456 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6636 -0.8601 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7647 -0.9987 1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2229 -1.7567 -1.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2711 -3.7911 -0.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5697 -2.3139 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0555 -2.5548 -1.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0646 -0.4224 0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9661 1.3587 -1.6187 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3615 1.6270 -1.6171 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 11 13 2 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 18 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 25 26 1 0 14 27 2 0 6 28 1 0 28 29 2 0 29 30 1 0 29 3 1 0 27 9 1 0 25 16 1 0 1 31 1 0 1 32 1 0 1 33 1 0 4 34 1 0 5 35 1 0 7 36 1 0 8 37 1 0 10 38 1 0 12 39 1 0 13 40 1 0 16 41 1 6 18 42 1 6 19 43 1 0 19 44 1 0 20 45 1 0 21 46 1 1 22 47 1 0 23 48 1 6 24 49 1 0 25 50 1 1 26 51 1 0 27 52 1 0 28 53 1 0 30 54 1 0 M END