HMDB0244386 RDKit 3D 2-Propenoic acid, 2-(((2-methoxyphenyl)acetyl)amino)- 30 30 0 0 0 0 0 0 0 0999 V2000 3.0236 -1.7599 -1.0135 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1689 -0.6462 -0.3522 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1509 -0.1114 0.4488 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8889 -0.6315 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4434 -1.6881 0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0689 0.1317 1.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1098 0.7778 0.7398 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0453 2.1654 0.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9789 2.8136 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9971 2.0808 -0.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0595 0.7083 -0.5936 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 0.0422 0.1869 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1844 -1.3345 0.3968 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2481 -2.0907 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4546 0.0886 -0.4560 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6002 1.1582 0.1735 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5063 -0.3681 -1.2290 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8677 -2.1225 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1476 -2.3389 -1.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3839 0.8031 0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4799 -0.5659 2.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5331 0.8819 2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2292 2.7330 0.9666 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9091 3.8841 -0.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 2.5112 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8385 0.0960 -1.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2285 -1.5842 0.0295 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1659 -2.1265 -1.3005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2175 -3.1053 0.2480 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4732 -0.4023 -2.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 2 15 1 0 15 16 2 0 15 17 1 0 12 7 1 0 1 18 1 0 1 19 1 0 3 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 10 25 1 0 11 26 1 0 14 27 1 0 14 28 1 0 14 29 1 0 17 30 1 0 M END