HMDB0249300 RDKit 3D 2-((3-Phenylpropoxy)imino)butanoic acid 34 34 0 0 0 0 0 0 0 0999 V2000 4.4442 1.1116 -1.5379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4255 -0.2213 -0.7388 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5060 0.0620 0.4036 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3203 -0.0413 0.3979 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3600 -0.3552 -0.4230 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4263 -1.4128 -0.0085 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 -0.6959 -0.3236 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0680 -1.4180 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2661 -0.4774 -0.0284 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5093 -1.0019 -0.1288 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6547 -0.2780 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5363 1.1057 -0.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2906 1.6501 -0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1182 0.8590 -0.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0898 0.8446 1.5802 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2929 1.3122 2.4071 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3965 1.0026 1.7019 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8818 1.8976 -0.9478 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9453 1.0206 -2.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4578 1.4350 -1.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4108 -0.4575 -0.4410 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0101 -1.0269 -1.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5332 -2.1559 -0.8774 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5302 -1.7987 0.9341 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8786 -0.2180 -1.2771 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7474 0.2335 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0006 -1.9453 1.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1955 -2.2342 -0.7509 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5607 -2.1192 -0.0467 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6265 -0.6951 -0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4662 1.7136 -0.5112 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 2.7723 -0.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1261 1.3317 -0.0155 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0231 0.2002 1.7203 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 2 0 3 15 1 0 15 16 2 0 15 17 1 0 14 9 1 0 1 18 1 0 1 19 1 0 1 20 1 0 2 21 1 0 2 22 1 0 6 23 1 0 6 24 1 0 7 25 1 0 7 26 1 0 8 27 1 0 8 28 1 0 10 29 1 0 11 30 1 0 12 31 1 0 13 32 1 0 14 33 1 0 17 34 1 0 M END