HMDB0302931 RDKit 3D N-Methylrosmaricine 55 58 0 0 0 0 0 0 0 0999 V2000 -0.4098 4.0425 -0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0301 2.6977 -0.7055 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2169 1.7328 0.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6206 0.4925 0.2057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9358 0.7326 -0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9106 -0.2408 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3223 0.1259 -0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7272 0.6824 -1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3068 -0.5639 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4894 -1.5110 0.2494 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3986 -2.5227 0.2885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1924 -1.7384 0.6413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8074 -2.9667 1.0590 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 -0.7420 0.6341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1544 -0.8933 1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8586 -2.1380 1.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3322 -2.1210 0.7938 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5558 -1.5141 -0.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7750 -0.2091 -0.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0959 -0.3527 -2.0683 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8270 0.9106 -0.9588 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1142 0.0652 0.4496 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5501 1.4125 0.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 1.1814 2.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1441 -0.1636 2.4467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9116 -0.7844 3.5129 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4975 4.1508 -0.1590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1127 4.8460 -0.8051 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0064 4.1061 0.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5474 2.4850 -1.5983 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 2.2405 1.2102 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2618 1.7212 -0.5517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2896 1.2312 0.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 0.7414 -2.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5181 0.0088 -2.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 1.6814 -1.6670 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 -0.3854 1.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3458 -0.1028 0.2933 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3526 -1.6434 0.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3094 -3.4508 0.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -3.7905 1.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 -2.3968 2.3055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4692 -3.0699 0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7106 -3.1804 0.7437 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9608 -1.6840 1.6263 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 -1.2807 -0.5945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3810 -2.2540 -1.3161 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2922 0.3427 -2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7361 -1.3963 -2.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 -0.2204 -2.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3343 1.6596 -1.5872 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1357 1.2611 0.0218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6958 0.5090 -1.5125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9952 0.0304 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2930 2.2255 0.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 6 10 2 0 10 11 1 0 10 12 1 0 12 13 1 0 12 14 2 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 19 21 1 0 19 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 23 3 1 0 14 4 1 0 22 15 1 0 25 15 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 5 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 8 36 1 0 9 37 1 0 9 38 1 0 9 39 1 0 11 40 1 0 13 41 1 0 16 42 1 0 16 43 1 0 17 44 1 0 17 45 1 0 18 46 1 0 18 47 1 0 20 48 1 0 20 49 1 0 20 50 1 0 21 51 1 0 21 52 1 0 21 53 1 0 22 54 1 0 23 55 1 0 M END