HMDB0012145 RDKit 3D 2-Carboxymethyl-3-hydroxyphenylpropionyl-CoA 109112 0 0 0 0 0 0 0 0999 V2000 0.6187 -1.2205 -0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5956 -0.4376 -0.4680 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8878 -0.3876 -2.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8191 -0.7673 0.1482 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 -1.6954 -0.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2007 -0.6747 0.4992 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3004 -1.5284 0.6326 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7382 0.2155 1.7834 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2669 0.2854 -0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7130 1.8600 -0.7396 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.3519 2.5708 -1.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9968 2.6111 0.5307 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4009 1.7837 -0.5303 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7126 2.5539 0.5358 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1069 2.1017 1.0008 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.0528 2.0639 0.0519 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6982 0.8062 0.1288 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.5699 0.4191 -0.8927 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.8171 1.0810 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