HMDB0244261 RDKit 3D 1'-Hydroxybufuralol 43 44 0 0 0 0 0 0 0 0999 V2000 5.9694 0.6668 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5039 0.9902 -0.1445 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2714 1.6264 -1.3689 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6190 -0.1837 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1237 -1.4496 0.1213 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2571 -2.5403 0.2623 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9028 -2.3323 0.2890 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3841 -1.0581 0.1778 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0984 -0.5348 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2257 0.8254 0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8645 1.8624 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5085 2.9537 0.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1833 1.3201 0.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5786 0.2157 -0.4530 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8240 -0.3866 -0.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8025 -1.0058 1.2823 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9569 0.6179 -0.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1181 -1.4831 -1.1156 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5079 1.0828 -0.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 0.0066 0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3823 0.3414 -0.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1712 -0.0934 0.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5383 1.6104 0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2688 1.7462 0.6584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1277 1.7587 -1.8826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1717 -1.6942 0.1062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6601 -3.5434 0.3504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2194 -3.1741 0.3988 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8036 -1.1142 0.2639 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8517 2.2538 -1.0668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4649 3.0975 0.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9390 2.1379 0.1758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2660 1.1254 1.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 0.5954 -1.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9800 -1.7525 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6992 -0.2018 2.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7441 -1.5820 1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7037 1.3228 -1.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0911 1.1809 0.7553 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8598 0.0654 -0.4872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0713 -1.9641 -0.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2209 -1.0614 -2.1235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3164 -2.2485 -1.0628 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 9 10 2 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 15 18 1 0 10 19 1 0 19 20 1 0 20 4 1 0 20 8 2 0 1 21 1 0 1 22 1 0 1 23 1 0 2 24 1 0 3 25 1 0 5 26 1 0 6 27 1 0 7 28 1 0 9 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 14 34 1 0 16 35 1 0 16 36 1 0 16 37 1 0 17 38 1 0 17 39 1 0 17 40 1 0 18 41 1 0 18 42 1 0 18 43 1 0 M END