HMDB0059765 RDKit 3D 3-Indolehydracrylic acid 26 27 0 0 0 0 0 0 0 0999 V2000 -4.3489 -1.9609 -0.3858 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8306 -0.8261 -0.3025 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 0.2274 -0.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5946 -0.6448 0.4795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4175 -0.2811 -0.3791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7480 0.9349 -1.0135 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1750 -0.1514 0.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -0.2575 1.7962 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2566 -0.0800 2.1067 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9960 0.1459 0.9848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3436 0.3771 0.8259 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8198 0.5742 -0.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9643 0.5407 -1.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6232 0.3039 -1.3279 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0984 0.1000 -0.0606 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1352 0.5582 -1.8677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7958 0.0372 1.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3221 -1.6404 0.9402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2586 -1.0076 -1.2080 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9500 1.4826 -1.1448 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8149 -0.4528 2.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6460 -0.1108 3.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 0.4105 1.6275 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8623 0.7588 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3222 0.6965 -2.5542 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8868 0.2658 -2.1446 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 5 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 3 16 1 0 4 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 8 21 1 0 9 22 1 0 11 23 1 0 12 24 1 0 13 25 1 0 14 26 1 0 M END