HMDB0030745 RDKit 3D (R)-Heraclenol 38 40 0 0 0 0 0 0 0 0999 V2000 -3.8208 1.5218 -0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2519 0.1103 0.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2946 -0.5902 -1.2243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0108 -0.4870 1.0804 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8287 0.3018 0.6113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9338 1.1181 1.7353 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1951 -0.9910 0.9998 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0821 -0.7895 1.4944 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1755 -0.2537 0.9079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4923 1.0841 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9369 2.1304 1.5244 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6037 3.2328 1.3178 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 2.9277 0.5614 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6386 1.5713 0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4757 0.7357 -0.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1654 -0.6259 -0.4234 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0047 -1.4724 -1.1192 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6841 -2.7940 -1.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5275 -3.2083 -0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2704 -4.4451 -0.6012 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7634 -2.3600 0.1257 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0295 -1.0791 0.2069 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3101 2.2152 0.6021 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6195 1.8459 -1.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8948 1.5154 0.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 0.0521 -2.0160 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2778 -0.8785 -1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9264 -1.4975 -1.1405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1615 -1.4591 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2005 0.7631 -0.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5607 0.6348 2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1570 -1.7114 0.1289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8353 -1.5450 1.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3898 4.2435 1.6507 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4920 3.5995 0.1942 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3772 1.1072 -0.8525 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8829 -1.0380 -1.5901 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 -3.4852 -1.7078 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 2 5 1 0 5 6 1 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 9 1 0 14 10 1 0 22 16 2 0 1 23 1 0 1 24 1 0 1 25 1 0 3 26 1 0 3 27 1 0 3 28 1 0 4 29 1 0 5 30 1 0 6 31 1 0 7 32 1 0 7 33 1 0 12 34 1 0 13 35 1 0 15 36 1 0 17 37 1 0 18 38 1 0 M END