HMDB0038942 RDKit 3D Methyl 2,3-dihydro-3,5-dihydroxy-2-oxo-3-indoleacetic acid 28 29 0 0 0 0 0 0 0 0999 V2000 4.5164 0.4138 0.6054 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1218 0.3143 0.4324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4514 0.7938 -0.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1894 1.3519 -1.5496 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9983 0.7206 -0.9034 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2960 -0.0421 0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5407 0.6147 1.4123 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6537 -1.4591 0.2337 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8361 -1.9506 0.3658 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5350 -2.2072 0.1020 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6235 -1.3034 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9991 -1.5579 -0.1751 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9145 -0.5362 -0.2796 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4501 0.7628 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3827 1.7794 -0.3359 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1068 1.0044 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1708 -0.0187 0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0912 0.4378 -0.3167 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7699 1.2894 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8449 -0.4823 1.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6112 1.7595 -0.9146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8320 0.1911 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0758 -0.0037 1.9582 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5787 -3.2631 0.0989 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 -2.5886 -0.2093 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9798 -0.7649 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0435 2.7327 -0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7230 2.0116 -0.0376 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 14 16 1 0 16 17 2 0 17 6 1 0 17 11 1 0 1 18 1 0 1 19 1 0 1 20 1 0 5 21 1 0 5 22 1 0 7 23 1 0 10 24 1 0 12 25 1 0 13 26 1 0 15 27 1 0 16 28 1 0 M END