HMDB0038665 RDKit 3D Indole-3-acetylglutamic acid 38 39 0 0 0 0 0 0 0 0999 V2000 4.7506 2.0178 1.7876 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8529 2.1028 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0808 2.8425 -0.2301 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 1.3375 1.1769 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8279 -0.1480 1.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0421 -0.6343 -0.3305 C 0 0 2 0 0 0 0 0 0 0 0 0 1.8886 -0.4309 -1.2605 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6315 -0.6226 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5449 -0.8302 0.5751 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6609 -0.6118 -1.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7557 -0.7400 -0.4311 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8058 -1.5429 0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9283 -1.2202 1.4117 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5867 -0.2479 0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7666 0.4102 1.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2101 1.3432 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4973 1.6238 -1.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3188 0.9948 -1.2706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 0.0504 -0.3534 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1578 -2.1357 -0.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 -2.7211 -0.9010 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0804 -2.9142 0.1259 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9325 2.7059 -0.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8420 1.6729 0.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2200 1.6127 2.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2546 -0.7721 1.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9428 -0.2332 1.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9240 -0.1725 -0.8311 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0130 -0.1636 -2.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6593 -1.4131 -2.1912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 0.3620 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1013 -2.2922 0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1686 -1.6681 2.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2875 0.1501 1.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1366 1.8514 0.2932 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8460 2.3542 -1.7448 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7627 1.2021 -2.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3672 -3.1202 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 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 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 6 20 1 0 20 21 2 0 20 22 1 0 19 11 1 0 19 14 1 0 3 23 1 0 4 24 1 0 4 25 1 0 5 26 1 0 5 27 1 0 6 28 1 6 7 29 1 0 10 30 1 0 10 31 1 0 12 32 1 0 13 33 1 0 15 34 1 0 16 35 1 0 17 36 1 0 18 37 1 0 22 38 1 0 M END