HMDB0247322 RDKit 3D 4-Bis(2-hydroxyethyl)amino-L-phenylalanine 39 39 0 0 0 0 0 0 0 0999 V2000 -3.7068 -0.2814 -1.3577 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0729 -0.2562 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2191 0.8415 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7949 0.5020 0.4586 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1589 0.8966 -0.7113 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1693 0.6247 -0.9071 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8561 -0.0517 0.0842 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -0.2541 -0.1447 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7951 -1.2875 -0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -2.2753 -0.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0636 -3.2442 -0.9904 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 0.7369 0.5299 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6661 1.5998 -0.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 2.5949 -0.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2692 -0.4633 1.2517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0872 -0.1644 1.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4809 0.2187 0.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1032 0.2653 1.2872 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1334 0.6385 -0.9492 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3266 -1.2316 -1.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5419 -0.0545 -1.9164 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8478 -1.1902 0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4559 1.8282 0.2215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 0.8578 1.7841 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 1.4125 -1.4545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6703 0.9312 -1.8290 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9679 -1.8682 -1.4024 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3995 -0.9039 -1.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3505 -1.7668 0.4711 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8271 -2.7060 0.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9451 -4.1196 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5277 1.4182 1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9297 0.2343 1.0982 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0865 0.9614 -1.4195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7623 2.0923 -1.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9578 3.4203 0.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8209 -0.9946 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5238 -0.5055 2.3592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9233 1.5440 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 8 12 1 0 12 13 1 0 13 14 1 0 7 15 1 0 15 16 2 0 2 17 1 0 17 18 2 0 17 19 1 0 16 4 1 0 1 20 1 0 1 21 1 0 2 22 1 0 3 23 1 0 3 24 1 0 5 25 1 0 6 26 1 0 9 27 1 0 9 28 1 0 10 29 1 0 10 30 1 0 11 31 1 0 12 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 15 37 1 0 16 38 1 0 19 39 1 0 M END