HMDB0094759 RDKit 3D 5-hydroxyoct-1-enoylglycine 32 31 0 0 0 0 0 0 0 0999 V2000 -4.8773 0.7473 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8572 -0.0190 -0.7783 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5175 -0.1115 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6144 -0.9029 -0.9697 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2168 -2.1585 -1.1441 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2478 -1.1372 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4872 0.1469 -0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8216 -0.0976 0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2482 -1.3181 0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5899 -2.4722 1.0100 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6482 1.0072 0.7947 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0325 0.8430 1.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7957 0.3638 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2525 0.1675 -1.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1483 0.1348 0.1757 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4931 0.0968 0.6537 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5361 1.2674 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4479 1.5330 0.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2266 -1.0803 -0.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6567 0.4008 -1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6168 -0.6320 0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0934 0.9075 0.1293 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5694 -0.3756 -1.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2663 -2.5518 -0.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3388 -1.6848 -1.1629 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3115 -1.7906 0.4985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0915 0.7345 0.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6208 0.6774 -1.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2723 1.9772 0.7522 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4376 1.8079 1.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1019 0.0661 2.0194 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8449 0.8820 0.1292 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 1 0 4 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 2 0 8 11 1 0 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 2 20 1 0 3 21 1 0 3 22 1 0 4 23 1 0 5 24 1 0 6 25 1 0 6 26 1 0 7 27 1 0 7 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 15 32 1 0 M END