HMDB0094764 RDKit 3D 5-hydroxyoct-6-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.3354 -0.7179 0.6602 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9647 0.6054 0.0871 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6938 0.9557 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6266 0.0517 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8387 0.7809 1.5169 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9566 -0.5926 -0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3634 0.4195 -1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7169 1.2061 -0.7730 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7860 0.2704 -0.3495 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3863 -0.5830 -1.2869 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1423 0.2641 0.8809 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 -0.5988 1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4488 -0.2724 0.7175 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5204 0.6344 -0.1451 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5611 -1.0277 1.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7040 -1.4970 0.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3933 -0.9773 0.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1364 -0.7295 1.7563 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6845 1.2850 -0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 1.8914 -0.2995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1501 -0.7513 1.2958 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2536 1.6438 1.8035 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6708 -1.2693 -1.0479 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1629 -1.3157 -0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0025 -0.0764 -2.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1327 1.1397 -1.8082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4363 1.8359 0.0792 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1684 1.9511 -1.5084 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5337 -1.5642 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9327 -1.6726 1.2619 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2398 -0.4173 2.4861 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4198 -0.8722 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 3 3 4 1 0 4 5 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 2 3 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 3 20 1 0 4 21 1 0 5 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 12 30 1 0 12 31 1 0 15 32 1 0 M END