HMDB0038991 RDKit 3D Methyl dioxindole-3-acetate 27 28 0 0 0 0 0 0 0 0999 V2000 4.5261 -0.7198 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1323 -0.7961 0.6886 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3825 0.3468 0.6529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9272 1.4296 0.3364 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9492 0.3451 0.9763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0988 0.3911 -0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3979 1.5608 -1.0128 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3149 -0.8161 -1.1237 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3964 -1.2027 -1.6542 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9437 -1.4685 -1.2118 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9545 -0.7700 -0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2950 -0.9786 -0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0310 -0.1033 0.4744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 1.0180 1.0287 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0573 1.2486 0.8235 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3380 0.3530 0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0498 -0.2103 1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6837 -0.2010 -0.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 -1.7422 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6857 -0.5804 1.5175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7085 1.2583 1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4465 2.3018 -0.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0798 -2.3673 -1.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7825 -1.8353 -0.7015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0899 -0.2615 0.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0389 1.6703 1.6149 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 2.1295 1.2740 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 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 6 1 0 16 11 1 0 1 17 1 0 1 18 1 0 1 19 1 0 5 20 1 0 5 21 1 0 7 22 1 0 10 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 15 27 1 0 M END