HMDB0240623 RDKit 3D Methyl indole-3-propanoate 28 29 0 0 0 0 0 0 0 0999 V2000 4.1723 1.2691 0.6673 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3451 0.1356 0.9414 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3927 -0.3097 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3477 0.3639 -1.0496 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5360 -1.4855 0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5810 -1.8134 -0.8038 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3461 -0.6803 -1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3519 0.2145 -2.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3862 1.0794 -1.9575 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 0.7853 -0.8350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1789 1.3611 -0.2469 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6788 0.8427 0.9326 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -0.2379 1.4670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9222 -0.8182 0.8871 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4369 -0.2964 -0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7187 1.9049 -0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1884 1.8828 1.5967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1829 0.9896 0.3657 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9354 -1.2049 1.1948 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2231 -2.3232 0.5312 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0376 -2.6743 -0.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0643 -2.1515 -1.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3740 0.1977 -2.9308 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6219 1.8599 -2.6075 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6633 2.2022 -0.6852 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5459 1.2708 1.4162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3751 -0.6924 2.3932 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4183 -1.6716 1.3175 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 7 8 2 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 7 1 0 15 10 1 0 1 16 1 0 1 17 1 0 1 18 1 0 5 19 1 0 5 20 1 0 6 21 1 0 6 22 1 0 8 23 1 0 9 24 1 0 11 25 1 0 12 26 1 0 13 27 1 0 14 28 1 0 M END