HMDB0028866 RDKit 3D Hydroxyprolyl-Isoleucine 37 37 0 0 0 0 0 0 0 0999 V2000 -3.8406 1.4004 1.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8444 0.3840 0.4203 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5444 0.2732 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7007 -0.7877 -1.3772 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3782 -0.1214 0.5767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1505 -0.2070 -0.1859 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9673 0.6200 0.0544 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 1.4698 0.9880 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2265 0.5705 -0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8874 -0.8111 -0.5985 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -0.4936 -0.7530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1631 -1.4317 -0.1156 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4631 0.8653 -0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1989 1.5136 -0.2496 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5889 -1.4031 1.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7488 -2.3589 1.1707 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6589 -1.6588 2.1359 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3956 2.3619 1.1938 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 1.6235 1.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3819 1.0183 2.4649 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6411 0.7505 -0.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2003 -0.5654 0.8088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 1.2539 -0.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9278 -1.7422 -0.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8273 -0.8638 -2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6249 -0.5545 -1.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2989 0.6762 1.3610 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1046 -0.9127 -0.9398 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0770 0.7361 -1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6565 -1.3129 0.3427 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 -1.4356 -1.4443 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6538 -0.4177 -1.8153 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 -1.1255 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7445 0.7636 0.9720 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2746 1.4124 -0.6527 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 2.3992 -0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5887 -1.8887 3.1104 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 5 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 3 23 1 0 4 24 1 0 4 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 9 29 1 0 10 30 1 0 10 31 1 0 11 32 1 0 12 33 1 0 13 34 1 0 13 35 1 0 14 36 1 0 17 37 1 0 M END